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

C89H74O15 — CID 158111333

IUPAC2,4-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
SMILESOc1ccc(Cc2cc(Cc3ccc(O)cc3)c3ccc(O)cc3c2O)cc1.Oc1ccc(Cc2cc3c(Cc4ccc(O)cc4)ccc(O)c3cc2O)cc1.Oc1ccc(Cc2ccc(O)c3cc(O)ccc23)cc1.Oc1ccc(Cc2ccc3ccc(O)c(Cc4ccc(O)cc4)c3c2O)cc1
InChIInChI=1S/3C24H20O4.C17H14O3/c25-19-8-1-15(2-9-19)13-18-6-5-17-7-12-22(27)21(23(17)24(18)28)14-16-3-10-20(26)11-4-16;25-19-6-1-15(2-7-19)11-17-5-10-23(27)22-14-24(28)18(13-21(17)22)12-16-3-8-20(26)9-4-16;25-19-5-1-15(2-6-19)11-17-13-18(12-16-3-7-20(26)8-4-16)24(28)23-14-21(27)9-10-22(17)23;18-13-4-1-11(2-5-13)9-12-3-8-17(20)16-10-14(19)6-7-15(12)16/h1-12,25-28H,13-14H2;2*1-10,13-14,25-28H,11-12H2;1-8,10,18-20H,9H2
InChIKeyFQLWKDPFFMXLEY-UHFFFAOYSA-N
MW1383.56 g/mol
LogP18.08
Rot. Bonds14

About 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

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 (PubChem CID 158111333) has the molecular formula C89H74O15 and a molecular weight of 1383.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,4-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
PubChem CID158111333
Molecular FormulaC89H74O15
Molecular Weight1383.56 g/mol
Exact Mass1382.50
IUPAC Name2,4-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
SMILESOc1ccc(Cc2cc(Cc3ccc(O)cc3)c3ccc(O)cc3c2O)cc1.Oc1ccc(Cc2cc3c(Cc4ccc(O)cc4)ccc(O)c3cc2O)cc1.Oc1ccc(Cc2ccc(O)c3cc(O)ccc23)cc1.Oc1ccc(Cc2ccc3ccc(O)c(Cc4ccc(O)cc4)c3c2O)cc1
InChIInChI=1S/3C24H20O4.C17H14O3/c25-19-8-1-15(2-9-19)13-18-6-5-17-7-12-22(27)21(23(17)24(18)28)14-16-3-10-20(26)11-4-16;25-19-6-1-15(2-7-19)11-17-5-10-23(27)22-14-24(28)18(13-21(17)22)12-16-3-8-20(26)9-4-16;25-19-5-1-15(2-6-19)11-17-13-18(12-16-3-7-20(26)8-4-16)24(28)23-14-21(27)9-10-22(17)23;18-13-4-1-11(2-5-13)9-12-3-8-17(20)16-10-14(19)6-7-15(12)16/h1-12,25-28H,13-14H2;2*1-10,13-14,25-28H,11-12H2;1-8,10,18-20H,9H2
InChIKeyFQLWKDPFFMXLEY-UHFFFAOYSA-N
XLogP18.08
TPSA303.45 Ų
H-Bond Donors15
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001383.56
LogP ≤ 518.08
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

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
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
2,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol
CID 129291824
2,5,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol
CID 129291858
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
2,4,5-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
6-[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol
CID 129291923
5-[[4-[4-[(2,5-dihydroxynaphthalen-1-yl)methyl]phenyl]peroxyphenyl]methyl]-2-[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol
CID 129309489
4-[(4,7-dihydroxynaphthalen-1-yl)methyl]naphthalene-1,6-diol
CID 140713689
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
4-[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol
CID 129291927

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Oc1ccc(Cc2cc(Cc3ccc(O)cc3)c3ccc(O)cc3c2O)cc1.Oc1ccc(Cc2cc3c(Cc4ccc(O)cc4)ccc(O)c3cc2O)cc1.Oc1ccc(Cc2ccc(O)c3cc(O)ccc23)cc1.Oc1ccc(Cc2ccc3ccc(O)c(Cc4ccc(O)cc4)c3c2O)cc1.
What is the InChIKey of 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?
The InChIKey is FQLWKDPFFMXLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C24H20O4.C17H14O3/c25-19-8-1-15(2-9-19)13-18-6-5-17-7-12-22(27)21(23(17)24(18)28)14-16-3-10-20(26)11-4-16;25-19-6-1-15(2-7-19)11-17-5-10-23(27)22-14-24(28)18(13-21(17)22)12-16-3-8-20(26)9-4-16;25-19-5-1-15(2-6-19)11-17-13-18(12-16-3-7-20(26)8-4-16)24(28)23-14-21(27)9-10-22(17)23;18-13-4-1-11(2-5-13)9-12-3-8-17(20)16-10-14(19)6-7-15(12)16/h1-12,25-28H,13-14H2;2*1-10,13-14,25-28H,11-12H2;1-8,10,18-20H,9H2.
What are the key properties of 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?
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 has a molecular weight of 1383.56 g/mol, XLogP of 18.08, 14 rotatable bonds, 15 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158111333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).