7,12-dimethylbenzo[a]anthracen-4-ol

C20H16O — CID 26871

IUPAC7,12-dimethylbenzo[a]anthracen-4-ol
SMILESCc1c2ccccc2c(C)c2c1ccc1c(O)cccc12
InChIInChI=1S/C20H16O/c1-12-14-6-3-4-7-15(14)13(2)20-16(12)10-11-17-18(20)8-5-9-19(17)21/h3-11,21H,1-2H3
InChIKeyZFIFADXOGSFNFT-UHFFFAOYSA-N
MW272.35 g/mol
LogP5.47
Rot. Bonds

About 7,12-dimethylbenzo[a]anthracen-4-ol

7,12-dimethylbenzo[a]anthracen-4-ol (PubChem CID 26871) has the molecular formula C20H16O and a molecular weight of 272.35 g/mol. Its IUPAC name is 7,12-dimethylbenzo[a]anthracen-4-ol.

Molecular Properties

Compound Name7,12-dimethylbenzo[a]anthracen-4-ol
PubChem CID26871
Molecular FormulaC20H16O
Molecular Weight272.35 g/mol
Exact Mass272.12
IUPAC Name7,12-dimethylbenzo[a]anthracen-4-ol
SMILESCc1c2ccccc2c(C)c2c1ccc1c(O)cccc12
InChIInChI=1S/C20H16O/c1-12-14-6-3-4-7-15(14)13(2)20-16(12)10-11-17-18(20)8-5-9-19(17)21/h3-11,21H,1-2H3
InChIKeyZFIFADXOGSFNFT-UHFFFAOYSA-N
XLogP5.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.35
LogP ≤ 55.47
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 7005
9-Phenanthrol
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1-Hydroxypyrene
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CID 6815
2,3,6-Trimethylphenol
CID 17016
1,5-Dihydroxynaphthalene
CID 6749
trans-Ferruginol
CID 442027
Menadiol
CID 10209
(+)-Totarol
CID 92783
3-Methylanthralin
CID 10288
2,3,5-Trimethylphenol
CID 12769
1,8,9-Anthracenetriol
CID 10187

Frequently Asked Questions

What is the IUPAC name of 7,12-dimethylbenzo[a]anthracen-4-ol?
The IUPAC name of 7,12-dimethylbenzo[a]anthracen-4-ol (CID 26871) is 7,12-dimethylbenzo[a]anthracen-4-ol.
What is the SMILES notation for 7,12-dimethylbenzo[a]anthracen-4-ol?
The canonical SMILES for 7,12-dimethylbenzo[a]anthracen-4-ol is Cc1c2ccccc2c(C)c2c1ccc1c(O)cccc12.
What is the InChIKey of 7,12-dimethylbenzo[a]anthracen-4-ol?
The InChIKey is ZFIFADXOGSFNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O/c1-12-14-6-3-4-7-15(14)13(2)20-16(12)10-11-17-18(20)8-5-9-19(17)21/h3-11,21H,1-2H3.
What are the key properties of 7,12-dimethylbenzo[a]anthracen-4-ol?
7,12-dimethylbenzo[a]anthracen-4-ol has a molecular weight of 272.35 g/mol, XLogP of 5.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,12-dimethylbenzo[a]anthracen-4-ol is sourced from PubChem (CID 26871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).