benzo[a]anthracen-8-ylmethanol

C19H14O — CID 25090609

IUPACbenzo[a]anthracen-8-ylmethanol
SMILESOCc1cccc2cc3c(ccc4ccccc43)cc12
InChIInChI=1S/C19H14O/c20-12-16-6-3-5-14-11-19-15(10-18(14)16)9-8-13-4-1-2-7-17(13)19/h1-11,20H,12H2
InChIKeyZUEZPIWPVGHNDI-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.64
Rot. Bonds1

About benzo[a]anthracen-8-ylmethanol

benzo[a]anthracen-8-ylmethanol (PubChem CID 25090609) has the molecular formula C19H14O and a molecular weight of 258.32 g/mol. Its IUPAC name is benzo[a]anthracen-8-ylmethanol.

Molecular Properties

Compound Namebenzo[a]anthracen-8-ylmethanol
PubChem CID25090609
Molecular FormulaC19H14O
Molecular Weight258.32 g/mol
Exact Mass258.10
IUPAC Namebenzo[a]anthracen-8-ylmethanol
SMILESOCc1cccc2cc3c(ccc4ccccc43)cc12
InChIInChI=1S/C19H14O/c20-12-16-6-3-5-14-11-19-15(10-18(14)16)9-8-13-4-1-2-7-17(13)19/h1-11,20H,12H2
InChIKeyZUEZPIWPVGHNDI-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.64
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

naphtho[1,2-b]phenanthrene
CID 5889
(10-bromoanthracen-1-yl)methanol
CID 13375398
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
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
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
CID 157090523
CID 157090523
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
benzo[a]anthracene;hydrobromide
CID 159787028
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
[1-[2-(hydroxymethyl)anthracen-1-yl]anthracen-2-yl]methanol
CID 12667018
1,4-dioxane;phenanthren-1-ylmethanol
CID 174807196
[7-(5-phenylpentyl)naphthalen-1-yl]methanol
CID 54267141

Frequently Asked Questions

What is the IUPAC name of benzo[a]anthracen-8-ylmethanol?
The IUPAC name of benzo[a]anthracen-8-ylmethanol (CID 25090609) is benzo[a]anthracen-8-ylmethanol.
What is the SMILES notation for benzo[a]anthracen-8-ylmethanol?
The canonical SMILES for benzo[a]anthracen-8-ylmethanol is OCc1cccc2cc3c(ccc4ccccc43)cc12.
What is the InChIKey of benzo[a]anthracen-8-ylmethanol?
The InChIKey is ZUEZPIWPVGHNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O/c20-12-16-6-3-5-14-11-19-15(10-18(14)16)9-8-13-4-1-2-7-17(13)19/h1-11,20H,12H2.
What are the key properties of benzo[a]anthracen-8-ylmethanol?
benzo[a]anthracen-8-ylmethanol has a molecular weight of 258.32 g/mol, XLogP of 4.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[a]anthracen-8-ylmethanol is sourced from PubChem (CID 25090609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).