8-methyl-9H-benzo[a]anthracene-8,9-diol

C19H16O2 — CID 25090610

IUPAC8-methyl-9H-benzo[a]anthracene-8,9-diol
SMILESCC1(O)c2cc3ccc4ccccc4c3cc2C=CC1O
InChIInChI=1S/C19H16O2/c1-19(21)17-11-13-7-6-12-4-2-3-5-15(12)16(13)10-14(17)8-9-18(19)20/h2-11,18,20-21H,1H3
InChIKeyUKEYITBZCOYGPX-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.59
Rot. Bonds

About 8-methyl-9H-benzo[a]anthracene-8,9-diol

8-methyl-9H-benzo[a]anthracene-8,9-diol (PubChem CID 25090610) has the molecular formula C19H16O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 8-methyl-9H-benzo[a]anthracene-8,9-diol.

Molecular Properties

Compound Name8-methyl-9H-benzo[a]anthracene-8,9-diol
PubChem CID25090610
Molecular FormulaC19H16O2
Molecular Weight276.33 g/mol
Exact Mass276.12
IUPAC Name8-methyl-9H-benzo[a]anthracene-8,9-diol
SMILESCC1(O)c2cc3ccc4ccccc4c3cc2C=CC1O
InChIInChI=1S/C19H16O2/c1-19(21)17-11-13-7-6-12-4-2-3-5-15(12)16(13)10-14(17)8-9-18(19)20/h2-11,18,20-21H,1H3
InChIKeyUKEYITBZCOYGPX-UHFFFAOYSA-N
XLogP3.59
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(10S,11S)-10,11-dihydrobenzo[a]anthracene-10,11-diol
CID 23621324
naphtho[1,2-b]phenanthrene
CID 5889
pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 160736098
16,16-dimethylheptacyclo[15.12.0.02,15.04,13.06,11.019,28.020,25]nonacosa-1(17),2,4,6,8,10,12,14,18,20,22,24,26,28-tetradecaene;ethane
CID 90721632
tris(naphtho[1,2-b]phenanthrene);bis(pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene)
CID 160566024
heptacyclo[16.12.0.03,16.04,13.07,12.019,28.022,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 6431039
octacyclo[16.16.0.02,15.04,13.07,12.019,32.022,31.023,28]tetratriaconta-1(18),2,4(13),5,7,9,11,14,16,19(32),20,22(31),23,25,27,29,33-heptadecaene
CID 173096286
phenanthrene-2,3-diol
CID 23048019
benzo[a]anthracene;hydrobromide
CID 159787028
heptacyclo[16.12.0.02,15.04,13.05,10.019,28.022,27]triaconta-1(18),2(15),3,5,7,9,11,13,16,19(28),20,22,24,26,29-pentadecaene
CID 21088016
heptacyclo[16.12.0.02,15.04,13.06,11.020,29.021,26]triaconta-1(30),2,4,6,8,10,12,14,16,18,20(29),21,23,25,27-pentadecaene
CID 21087911
CID 157090523
CID 157090523

Frequently Asked Questions

What is the IUPAC name of 8-methyl-9H-benzo[a]anthracene-8,9-diol?
The IUPAC name of 8-methyl-9H-benzo[a]anthracene-8,9-diol (CID 25090610) is 8-methyl-9H-benzo[a]anthracene-8,9-diol.
What is the SMILES notation for 8-methyl-9H-benzo[a]anthracene-8,9-diol?
The canonical SMILES for 8-methyl-9H-benzo[a]anthracene-8,9-diol is CC1(O)c2cc3ccc4ccccc4c3cc2C=CC1O.
What is the InChIKey of 8-methyl-9H-benzo[a]anthracene-8,9-diol?
The InChIKey is UKEYITBZCOYGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-19(21)17-11-13-7-6-12-4-2-3-5-15(12)16(13)10-14(17)8-9-18(19)20/h2-11,18,20-21H,1H3.
What are the key properties of 8-methyl-9H-benzo[a]anthracene-8,9-diol?
8-methyl-9H-benzo[a]anthracene-8,9-diol has a molecular weight of 276.33 g/mol, XLogP of 3.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-9H-benzo[a]anthracene-8,9-diol is sourced from PubChem (CID 25090610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).