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

C16H14O2 — CID 12969385

IUPAC[8-(hydroxymethyl)anthracen-1-yl]methanol
SMILESOCc1cccc2cc3cccc(CO)c3cc12
InChIInChI=1S/C16H14O2/c17-9-13-5-1-3-11-7-12-4-2-6-14(10-18)16(12)8-15(11)13/h1-8,17-18H,9-10H2
InChIKeyGSHJWFSWKUADLL-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.98
Rot. Bonds2

About [8-(hydroxymethyl)anthracen-1-yl]methanol

[8-(hydroxymethyl)anthracen-1-yl]methanol (PubChem CID 12969385) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is [8-(hydroxymethyl)anthracen-1-yl]methanol.

Molecular Properties

Compound Name[8-(hydroxymethyl)anthracen-1-yl]methanol
PubChem CID12969385
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name[8-(hydroxymethyl)anthracen-1-yl]methanol
SMILESOCc1cccc2cc3cccc(CO)c3cc12
InChIInChI=1S/C16H14O2/c17-9-13-5-1-3-11-7-12-4-2-6-14(10-18)16(12)8-15(11)13/h1-8,17-18H,9-10H2
InChIKeyGSHJWFSWKUADLL-UHFFFAOYSA-N
XLogP2.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [8-(hydroxymethyl)anthracen-1-yl]methanol?
The IUPAC name of [8-(hydroxymethyl)anthracen-1-yl]methanol (CID 12969385) is [8-(hydroxymethyl)anthracen-1-yl]methanol.
What is the SMILES notation for [8-(hydroxymethyl)anthracen-1-yl]methanol?
The canonical SMILES for [8-(hydroxymethyl)anthracen-1-yl]methanol is OCc1cccc2cc3cccc(CO)c3cc12.
What is the InChIKey of [8-(hydroxymethyl)anthracen-1-yl]methanol?
The InChIKey is GSHJWFSWKUADLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c17-9-13-5-1-3-11-7-12-4-2-6-14(10-18)16(12)8-15(11)13/h1-8,17-18H,9-10H2.
What are the key properties of [8-(hydroxymethyl)anthracen-1-yl]methanol?
[8-(hydroxymethyl)anthracen-1-yl]methanol has a molecular weight of 238.29 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(hydroxymethyl)anthracen-1-yl]methanol is sourced from PubChem (CID 12969385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).