[1-[2-(hydroxymethyl)anthracen-1-yl]anthracen-2-yl]methanol

C30H22O2 — CID 12667018

IUPAC[1-[2-(hydroxymethyl)anthracen-1-yl]anthracen-2-yl]methanol
SMILESOCc1ccc2cc3ccccc3cc2c1-c1c(CO)ccc2cc3ccccc3cc12
InChIInChI=1S/C30H22O2/c31-17-25-11-9-23-13-19-5-1-3-7-21(19)15-27(23)29(25)30-26(18-32)12-10-24-14-20-6-2-4-8-22(20)16-28(24)30/h1-16,31-32H,17-18H2
InChIKeyHPBMYUAUMGHFNE-UHFFFAOYSA-N
MW414.50 g/mol
LogP6.95
Rot. Bonds3

About [1-[2-(hydroxymethyl)anthracen-1-yl]anthracen-2-yl]methanol

[1-[2-(hydroxymethyl)anthracen-1-yl]anthracen-2-yl]methanol (PubChem CID 12667018) has the molecular formula C30H22O2 and a molecular weight of 414.50 g/mol. Its IUPAC name is [1-[2-(hydroxymethyl)anthracen-1-yl]anthracen-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(hydroxymethyl)anthracen-1-yl]anthracen-2-yl]methanol
PubChem CID12667018
Molecular FormulaC30H22O2
Molecular Weight414.50 g/mol
Exact Mass414.16
IUPAC Name[1-[2-(hydroxymethyl)anthracen-1-yl]anthracen-2-yl]methanol
SMILESOCc1ccc2cc3ccccc3cc2c1-c1c(CO)ccc2cc3ccccc3cc12
InChIInChI=1S/C30H22O2/c31-17-25-11-9-23-13-19-5-1-3-7-21(19)15-27(23)29(25)30-26(18-32)12-10-24-14-20-6-2-4-8-22(20)16-28(24)30/h1-16,31-32H,17-18H2
InChIKeyHPBMYUAUMGHFNE-UHFFFAOYSA-N
XLogP6.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.50
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze [1-[2-(hydroxymethyl)anthracen-1-yl]anthracen-2-yl]methanol 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 [1-[2-(hydroxymethyl)anthracen-1-yl]anthracen-2-yl]methanol?
The IUPAC name of [1-[2-(hydroxymethyl)anthracen-1-yl]anthracen-2-yl]methanol (CID 12667018) is [1-[2-(hydroxymethyl)anthracen-1-yl]anthracen-2-yl]methanol.
What is the SMILES notation for [1-[2-(hydroxymethyl)anthracen-1-yl]anthracen-2-yl]methanol?
The canonical SMILES for [1-[2-(hydroxymethyl)anthracen-1-yl]anthracen-2-yl]methanol is OCc1ccc2cc3ccccc3cc2c1-c1c(CO)ccc2cc3ccccc3cc12.
What is the InChIKey of [1-[2-(hydroxymethyl)anthracen-1-yl]anthracen-2-yl]methanol?
The InChIKey is HPBMYUAUMGHFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22O2/c31-17-25-11-9-23-13-19-5-1-3-7-21(19)15-27(23)29(25)30-26(18-32)12-10-24-14-20-6-2-4-8-22(20)16-28(24)30/h1-16,31-32H,17-18H2.
What are the key properties of [1-[2-(hydroxymethyl)anthracen-1-yl]anthracen-2-yl]methanol?
[1-[2-(hydroxymethyl)anthracen-1-yl]anthracen-2-yl]methanol has a molecular weight of 414.50 g/mol, XLogP of 6.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(hydroxymethyl)anthracen-1-yl]anthracen-2-yl]methanol is sourced from PubChem (CID 12667018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).