2,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;5-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,6,8-tris[(4-hydroxyphenyl)methyl]naphthalene-1,4-diol

C137H114O28 — CID 159192114

IUPAC2,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;5-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,6,8-tris[(4-hydroxyphenyl)methyl]naphthalene-1,4-diol
SMILESOc1ccc(Cc2c(O)cc(O)c3c(O)cccc23)cc1.Oc1ccc(Cc2cc(Cc3ccc(O)cc3)c3c(O)c(Cc4ccc(O)cc4)cc(O)c3c2)cc1.Oc1ccc(Cc2ccc(O)c3c(O)cc(O)c(Cc4ccc(O)cc4)c23)cc1.Oc1ccc(Cc2ccc(O)c3c(O)cc(O)cc23)cc1.Oc1ccc(Cc2ccc3c(Cc4ccc(O)cc4)c(O)cc(O)c3c2O)cc1.Oc1ccc(Cc2ccc3cc(O)c(Cc4ccc(O)cc4)c(O)c3c2O)cc1
InChIInChI=1S/C31H26O5.3C24H20O5.2C17H14O4/c32-25-7-1-19(2-8-25)13-22-16-23(14-20-3-9-26(33)10-4-20)30-28(17-22)29(35)18-24(31(30)36)15-21-5-11-27(34)12-6-21;25-18-7-1-14(2-8-18)11-17-6-5-16-13-21(27)20(24(29)22(16)23(17)28)12-15-3-9-19(26)10-4-15;25-17-6-1-14(2-7-17)11-16-5-10-20(27)24-22(29)13-21(28)19(23(16)24)12-15-3-8-18(26)9-4-15;25-17-6-1-14(2-7-17)11-16-5-10-19-20(12-15-3-8-18(26)9-4-15)21(27)13-22(28)23(19)24(16)29;18-12-4-1-10(2-5-12)7-11-3-6-15(20)17-14(11)8-13(19)9-16(17)21;18-11-6-4-10(5-7-11)8-13-12-2-1-3-14(19)17(12)16(21)9-15(13)20/h1-12,16-18,32-36H,13-15H2;3*1-10,13,25-29H,11-12H2;1-6,8-9,18-21H,7H2;1-7,9,18-21H,8H2
InChIKeyKOFHNLYFCAKNNU-UHFFFAOYSA-N
MW2208.39 g/mol
LogP26.29
Rot. Bonds22

About 2,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;5-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,6,8-tris[(4-hydroxyphenyl)methyl]naphthalene-1,4-diol

2,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;5-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,6,8-tris[(4-hydroxyphenyl)methyl]naphthalene-1,4-diol (PubChem CID 159192114) has the molecular formula C137H114O28 and a molecular weight of 2208.39 g/mol. Its IUPAC name is 2,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;5-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,6,8-tris[(4-hydroxyphenyl)methyl]naphthalene-1,4-diol.

Molecular Properties

Compound Name2,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;5-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,6,8-tris[(4-hydroxyphenyl)methyl]naphthalene-1,4-diol
PubChem CID159192114
Molecular FormulaC137H114O28
Molecular Weight2208.39 g/mol
Exact Mass2206.75
IUPAC Name2,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;5-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,6,8-tris[(4-hydroxyphenyl)methyl]naphthalene-1,4-diol
SMILESOc1ccc(Cc2c(O)cc(O)c3c(O)cccc23)cc1.Oc1ccc(Cc2cc(Cc3ccc(O)cc3)c3c(O)c(Cc4ccc(O)cc4)cc(O)c3c2)cc1.Oc1ccc(Cc2ccc(O)c3c(O)cc(O)c(Cc4ccc(O)cc4)c23)cc1.Oc1ccc(Cc2ccc(O)c3c(O)cc(O)cc23)cc1.Oc1ccc(Cc2ccc3c(Cc4ccc(O)cc4)c(O)cc(O)c3c2O)cc1.Oc1ccc(Cc2ccc3cc(O)c(Cc4ccc(O)cc4)c(O)c3c2O)cc1
InChIInChI=1S/C31H26O5.3C24H20O5.2C17H14O4/c32-25-7-1-19(2-8-25)13-22-16-23(14-20-3-9-26(33)10-4-20)30-28(17-22)29(35)18-24(31(30)36)15-21-5-11-27(34)12-6-21;25-18-7-1-14(2-8-18)11-17-6-5-16-13-21(27)20(24(29)22(16)23(17)28)12-15-3-9-19(26)10-4-15;25-17-6-1-14(2-7-17)11-16-5-10-20(27)24-22(29)13-21(28)19(23(16)24)12-15-3-8-18(26)9-4-15;25-17-6-1-14(2-7-17)11-16-5-10-19-20(12-15-3-8-18(26)9-4-15)21(27)13-22(28)23(19)24(16)29;18-12-4-1-10(2-5-12)7-11-3-6-15(20)17-14(11)8-13(19)9-16(17)21;18-11-6-4-10(5-7-11)8-13-12-2-1-3-14(19)17(12)16(21)9-15(13)20/h1-12,16-18,32-36H,13-15H2;3*1-10,13,25-29H,11-12H2;1-6,8-9,18-21H,7H2;1-7,9,18-21H,8H2
InChIKeyKOFHNLYFCAKNNU-UHFFFAOYSA-N
XLogP26.29
TPSA566.44 Ų
H-Bond Donors28
H-Bond Acceptors28
Rotatable Bonds22
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002208.39
LogP ≤ 526.29
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 2,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;5-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,6,8-tris[(4-hydroxyphenyl)methyl]naphthalene-1,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol;4-[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol;2,4,6,8-tetrakis[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol;2,4,8-tris[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol
CID 158345266
2,4,5-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,4,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,5,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol
CID 157491462
2,6-bis[(4-hydroxyphenyl)methyl]naphthalene-1,5-diol;2,4,5,7-tetrakis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,4,6-tris[(4-hydroxyphenyl)methyl]naphthalene-1,5-diol;2,4,5-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,4,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol
CID 158639429
2,5,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol
CID 129291858
4-[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol
CID 129291927
2,4-bis[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol;2,8-bis[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol;4,6-bis[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol;4-[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol
CID 158111333
7-[[2-[3,7-dihydroxy-4-[(4-hydroxyphenyl)methyl]naphthalen-1-yl]-4-hydroxyphenyl]methyl]-2,4-bis[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol
CID 129303107
2,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol
CID 129291824
4,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol;5,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol;2,4,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol;2,5,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol
CID 161148036
5-[[4-[4-[(2,5-dihydroxynaphthalen-1-yl)methyl]phenyl]peroxyphenyl]methyl]-2-[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol
CID 129309489
naphthalene-1,2,4,5-tetrol;bis(naphthalene-1,2,4,8-tetrol);naphthalene-1,2,5,6-tetrol;naphthalene-1,2,5,8-tetrol;naphthalene-1,2,6,8-tetrol;naphthalene-1,3,5,7-tetrol;naphthalene-1,3,5,8-tetrol;naphthalene-1,4,5,8-tetrol;naphthalene-1,2,4-triol;naphthalene-1,2,5-triol;naphthalene-1,2,6-triol;naphthalene-1,2,8-triol;naphthalene-1,3,5-triol;naphthalene-1,3,7-triol;naphthalene-1,3,8-triol;naphthalene-1,4,5-triol;naphthalene-1,4,6-triol
CID 159623338
1-[[4,5-bis[(3,4-dihydroxyphenyl)methyl]-2,7-dihydroxynaphthalen-1-yl]methyl]-4,5-bis[(3,4-dihydroxyphenyl)methyl]naphthalene-2,7-diol
CID 139492113

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;5-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,6,8-tris[(4-hydroxyphenyl)methyl]naphthalene-1,4-diol?
The IUPAC name of 2,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;5-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,6,8-tris[(4-hydroxyphenyl)methyl]naphthalene-1,4-diol (CID 159192114) is 2,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;5-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,6,8-tris[(4-hydroxyphenyl)methyl]naphthalene-1,4-diol.
What is the SMILES notation for 2,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;5-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,6,8-tris[(4-hydroxyphenyl)methyl]naphthalene-1,4-diol?
The canonical SMILES for 2,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;5-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,6,8-tris[(4-hydroxyphenyl)methyl]naphthalene-1,4-diol is Oc1ccc(Cc2c(O)cc(O)c3c(O)cccc23)cc1.Oc1ccc(Cc2cc(Cc3ccc(O)cc3)c3c(O)c(Cc4ccc(O)cc4)cc(O)c3c2)cc1.Oc1ccc(Cc2ccc(O)c3c(O)cc(O)c(Cc4ccc(O)cc4)c23)cc1.Oc1ccc(Cc2ccc(O)c3c(O)cc(O)cc23)cc1.Oc1ccc(Cc2ccc3c(Cc4ccc(O)cc4)c(O)cc(O)c3c2O)cc1.Oc1ccc(Cc2ccc3cc(O)c(Cc4ccc(O)cc4)c(O)c3c2O)cc1.
What is the InChIKey of 2,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;5-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,6,8-tris[(4-hydroxyphenyl)methyl]naphthalene-1,4-diol?
The InChIKey is KOFHNLYFCAKNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26O5.3C24H20O5.2C17H14O4/c32-25-7-1-19(2-8-25)13-22-16-23(14-20-3-9-26(33)10-4-20)30-28(17-22)29(35)18-24(31(30)36)15-21-5-11-27(34)12-6-21;25-18-7-1-14(2-8-18)11-17-6-5-16-13-21(27)20(24(29)22(16)23(17)28)12-15-3-9-19(26)10-4-15;25-17-6-1-14(2-7-17)11-16-5-10-20(27)24-22(29)13-21(28)19(23(16)24)12-15-3-8-18(26)9-4-15;25-17-6-1-14(2-7-17)11-16-5-10-19-20(12-15-3-8-18(26)9-4-15)21(27)13-22(28)23(19)24(16)29;18-12-4-1-10(2-5-12)7-11-3-6-15(20)17-14(11)8-13(19)9-16(17)21;18-11-6-4-10(5-7-11)8-13-12-2-1-3-14(19)17(12)16(21)9-15(13)20/h1-12,16-18,32-36H,13-15H2;3*1-10,13,25-29H,11-12H2;1-6,8-9,18-21H,7H2;1-7,9,18-21H,8H2.
What are the key properties of 2,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;5-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,6,8-tris[(4-hydroxyphenyl)methyl]naphthalene-1,4-diol?
2,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;5-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,6,8-tris[(4-hydroxyphenyl)methyl]naphthalene-1,4-diol has a molecular weight of 2208.39 g/mol, XLogP of 26.29, 22 rotatable bonds, 28 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;4-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;5-[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol;2,6,8-tris[(4-hydroxyphenyl)methyl]naphthalene-1,4-diol is sourced from PubChem (CID 159192114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).