2,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol

C24H20O4 — CID 129291824

IUPAC2,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol
SMILESOc1ccc(Cc2ccc3c(Cc4ccc(O)cc4)c(O)ccc3c2O)cc1
InChIInChI=1S/C24H20O4/c25-18-6-1-15(2-7-18)13-17-5-10-20-21(24(17)28)11-12-23(27)22(20)14-16-3-8-19(26)9-4-16/h1-12,25-28H,13-14H2
InChIKeyVDMAOVGYABVONQ-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.84
Rot. Bonds4

About 2,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol

2,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol (PubChem CID 129291824) has the molecular formula C24H20O4 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol.

Molecular Properties

Compound Name2,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol
PubChem CID129291824
Molecular FormulaC24H20O4
Molecular Weight372.42 g/mol
Exact Mass372.14
IUPAC Name2,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol
SMILESOc1ccc(Cc2ccc3c(Cc4ccc(O)cc4)c(O)ccc3c2O)cc1
InChIInChI=1S/C24H20O4/c25-18-6-1-15(2-7-18)13-17-5-10-20-21(24(17)28)11-12-23(27)22(20)14-16-3-8-19(26)9-4-16/h1-12,25-28H,13-14H2
InChIKeyVDMAOVGYABVONQ-UHFFFAOYSA-N
XLogP4.84
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol?
The IUPAC name of 2,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol (CID 129291824) is 2,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol.
What is the SMILES notation for 2,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol?
The canonical SMILES for 2,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol is Oc1ccc(Cc2ccc3c(Cc4ccc(O)cc4)c(O)ccc3c2O)cc1.
What is the InChIKey of 2,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol?
The InChIKey is VDMAOVGYABVONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O4/c25-18-6-1-15(2-7-18)13-17-5-10-20-21(24(17)28)11-12-23(27)22(20)14-16-3-8-19(26)9-4-16/h1-12,25-28H,13-14H2.
What are the key properties of 2,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol?
2,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol has a molecular weight of 372.42 g/mol, XLogP of 4.84, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol is sourced from PubChem (CID 129291824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).