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

C103H86O17 — CID 158345266

IUPAC2-[(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
SMILESOc1ccc(Cc2cc(Cc3ccc(O)cc3)c3ccc(O)c(Cc4ccc(O)cc4)c3c2O)cc1.Oc1ccc(Cc2cc3c(Cc4ccc(O)cc4)cc(Cc4ccc(O)cc4)c(O)c3c(Cc3ccc(O)cc3)c2O)cc1.Oc1ccc(Cc2ccc(O)c3c(O)cccc23)cc1.Oc1ccc(Cc2ccc3cccc(O)c3c2O)cc1
InChIInChI=1S/C38H32O6.C31H26O5.2C17H14O3/c39-30-9-1-23(2-10-30)17-27-21-28(18-24-3-11-31(40)12-4-24)38(44)36-34(27)22-29(19-25-5-13-32(41)14-6-25)37(43)35(36)20-26-7-15-33(42)16-8-26;32-24-7-1-19(2-8-24)15-22-18-23(16-20-3-9-25(33)10-4-20)31(36)30-27(22)13-14-29(35)28(30)17-21-5-11-26(34)12-6-21;18-14-8-4-11(5-9-14)10-13-7-6-12-2-1-3-15(19)16(12)17(13)20;18-13-7-4-11(5-8-13)10-12-6-9-16(20)17-14(12)2-1-3-15(17)19/h1-16,21-22,39-44H,17-20H2;1-14,18,32-36H,15-17H2;2*1-9,18-20H,10H2
InChIKeyGRQRDMVRLZLJHM-UHFFFAOYSA-N
MW1595.80 g/mol
LogP20.67
Rot. Bonds18

About 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

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 (PubChem CID 158345266) has the molecular formula C103H86O17 and a molecular weight of 1595.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID158345266
Molecular FormulaC103H86O17
Molecular Weight1595.80 g/mol
Exact Mass1594.59
IUPAC Name2-[(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
SMILESOc1ccc(Cc2cc(Cc3ccc(O)cc3)c3ccc(O)c(Cc4ccc(O)cc4)c3c2O)cc1.Oc1ccc(Cc2cc3c(Cc4ccc(O)cc4)cc(Cc4ccc(O)cc4)c(O)c3c(Cc3ccc(O)cc3)c2O)cc1.Oc1ccc(Cc2ccc(O)c3c(O)cccc23)cc1.Oc1ccc(Cc2ccc3cccc(O)c3c2O)cc1
InChIInChI=1S/C38H32O6.C31H26O5.2C17H14O3/c39-30-9-1-23(2-10-30)17-27-21-28(18-24-3-11-31(40)12-4-24)38(44)36-34(27)22-29(19-25-5-13-32(41)14-6-25)37(43)35(36)20-26-7-15-33(42)16-8-26;32-24-7-1-19(2-8-24)15-22-18-23(16-20-3-9-25(33)10-4-20)31(36)30-27(22)13-14-29(35)28(30)17-21-5-11-26(34)12-6-21;18-14-8-4-11(5-9-14)10-13-7-6-12-2-1-3-15(19)16(12)17(13)20;18-13-7-4-11(5-8-13)10-12-6-9-16(20)17-14(12)2-1-3-15(17)19/h1-16,21-22,39-44H,17-20H2;1-14,18,32-36H,15-17H2;2*1-9,18-20H,10H2
InChIKeyGRQRDMVRLZLJHM-UHFFFAOYSA-N
XLogP20.67
TPSA343.91 Ų
H-Bond Donors17
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001595.80
LogP ≤ 520.67
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1017

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Oc1ccc(Cc2cc(Cc3ccc(O)cc3)c3ccc(O)c(Cc4ccc(O)cc4)c3c2O)cc1.Oc1ccc(Cc2cc3c(Cc4ccc(O)cc4)cc(Cc4ccc(O)cc4)c(O)c3c(Cc3ccc(O)cc3)c2O)cc1.Oc1ccc(Cc2ccc(O)c3c(O)cccc23)cc1.Oc1ccc(Cc2ccc3cccc(O)c3c2O)cc1.
What is the InChIKey of 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?
The InChIKey is GRQRDMVRLZLJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32O6.C31H26O5.2C17H14O3/c39-30-9-1-23(2-10-30)17-27-21-28(18-24-3-11-31(40)12-4-24)38(44)36-34(27)22-29(19-25-5-13-32(41)14-6-25)37(43)35(36)20-26-7-15-33(42)16-8-26;32-24-7-1-19(2-8-24)15-22-18-23(16-20-3-9-25(33)10-4-20)31(36)30-27(22)13-14-29(35)28(30)17-21-5-11-26(34)12-6-21;18-14-8-4-11(5-9-14)10-13-7-6-12-2-1-3-15(19)16(12)17(13)20;18-13-7-4-11(5-8-13)10-12-6-9-16(20)17-14(12)2-1-3-15(17)19/h1-16,21-22,39-44H,17-20H2;1-14,18,32-36H,15-17H2;2*1-9,18-20H,10H2.
What are the key properties of 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?
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 has a molecular weight of 1595.80 g/mol, XLogP of 20.67, 18 rotatable bonds, 17 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158345266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).