(12-methylbenzo[a]anthracen-7-yl)methanol

C20H16O — CID 11285

IUPAC(12-methylbenzo[a]anthracen-7-yl)methanol
SMILESCc1c2ccccc2c(CO)c2ccc3ccccc3c12
InChIInChI=1S/C20H16O/c1-13-15-7-4-5-9-17(15)19(12-21)18-11-10-14-6-2-3-8-16(14)20(13)18/h2-11,21H,12H2,1H3
InChIKeyJCBBZYDVQJQMMB-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.95
Rot. Bonds1

About (12-methylbenzo[a]anthracen-7-yl)methanol

(12-methylbenzo[a]anthracen-7-yl)methanol (PubChem CID 11285) has the molecular formula C20H16O and a molecular weight of 272.35 g/mol. Its IUPAC name is (12-methylbenzo[a]anthracen-7-yl)methanol.

Molecular Properties

Compound Name(12-methylbenzo[a]anthracen-7-yl)methanol
PubChem CID11285
Molecular FormulaC20H16O
Molecular Weight272.35 g/mol
Exact Mass272.12
IUPAC Name(12-methylbenzo[a]anthracen-7-yl)methanol
SMILESCc1c2ccccc2c(CO)c2ccc3ccccc3c12
InChIInChI=1S/C20H16O/c1-13-15-7-4-5-9-17(15)19(12-21)18-11-10-14-6-2-3-8-16(14)20(13)18/h2-11,21H,12H2,1H3
InChIKeyJCBBZYDVQJQMMB-UHFFFAOYSA-N
XLogP4.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 104977
Benzo(a)pyrene-7,8-dihydrodiol
CID 25892
2-Naphthalenemethanol
CID 74128
3,4-Dimethylbenzyl alcohol
CID 23407
Bay 27-9955
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2,4-Dimethylbenzyl alcohol
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Benzo(a)pyrene-6-methanol
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7-Hydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene
CID 97714
1-(1-Pyrenyl)ethanol
CID 119118

Frequently Asked Questions

What is the IUPAC name of (12-methylbenzo[a]anthracen-7-yl)methanol?
The IUPAC name of (12-methylbenzo[a]anthracen-7-yl)methanol (CID 11285) is (12-methylbenzo[a]anthracen-7-yl)methanol.
What is the SMILES notation for (12-methylbenzo[a]anthracen-7-yl)methanol?
The canonical SMILES for (12-methylbenzo[a]anthracen-7-yl)methanol is Cc1c2ccccc2c(CO)c2ccc3ccccc3c12.
What is the InChIKey of (12-methylbenzo[a]anthracen-7-yl)methanol?
The InChIKey is JCBBZYDVQJQMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O/c1-13-15-7-4-5-9-17(15)19(12-21)18-11-10-14-6-2-3-8-16(14)20(13)18/h2-11,21H,12H2,1H3.
What are the key properties of (12-methylbenzo[a]anthracen-7-yl)methanol?
(12-methylbenzo[a]anthracen-7-yl)methanol has a molecular weight of 272.35 g/mol, XLogP of 4.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (12-methylbenzo[a]anthracen-7-yl)methanol is sourced from PubChem (CID 11285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).