3-methyl-2H-anthracen-1-one

C15H12O — CID 141307258

IUPAC3-methyl-2H-anthracen-1-one
SMILESCC1=Cc2cc3ccccc3cc2C(=O)C1
InChIInChI=1S/C15H12O/c1-10-6-13-8-11-4-2-3-5-12(11)9-14(13)15(16)7-10/h2-6,8-9H,7H2,1H3
InChIKeyBZVCGEPNAQDQJU-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.83
Rot. Bonds

About 3-methyl-2H-anthracen-1-one

3-methyl-2H-anthracen-1-one (PubChem CID 141307258) has the molecular formula C15H12O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-methyl-2H-anthracen-1-one.

Molecular Properties

Compound Name3-methyl-2H-anthracen-1-one
PubChem CID141307258
Molecular FormulaC15H12O
Molecular Weight208.26 g/mol
Exact Mass208.09
IUPAC Name3-methyl-2H-anthracen-1-one
SMILESCC1=Cc2cc3ccccc3cc2C(=O)C1
InChIInChI=1S/C15H12O/c1-10-6-13-8-11-4-2-3-5-12(11)9-14(13)15(16)7-10/h2-6,8-9H,7H2,1H3
InChIKeyBZVCGEPNAQDQJU-UHFFFAOYSA-N
XLogP3.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-2H-pentaphen-1-one
CID 140609627
2-(2-methyl-3H-inden-4-yl)naphthalene
CID 158464529
3-ethylanthracene-1,2-dione
CID 19425075
ethane;pentacene-6,13-dione
CID 91293848
2,6-dimethyl-1,7-dihydro-s-indacene
CID 12975727
decacyclo[19.19.0.02,19.04,17.06,15.08,13.022,39.024,37.026,35.028,33]tetraconta-1(40),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-icosaene
CID 102341942
3-methyl-1H-cyclopenta[b]naphthalene-2-carbaldehyde
CID 102097914
1-(2-methyl-1H-inden-5-yl)naphthalene
CID 54474031
octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4,6(11),9,12,14,16,18,20,22,24,26,28,30,32-hexadecaen-7-one
CID 87342154
ethane;2-methyl-1H-indene
CID 54388135
1,2,3,4-tetramethylpentacene-6,13-dione
CID 141286138
2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalene;methanol
CID 174473349

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2H-anthracen-1-one?
The IUPAC name of 3-methyl-2H-anthracen-1-one (CID 141307258) is 3-methyl-2H-anthracen-1-one.
What is the SMILES notation for 3-methyl-2H-anthracen-1-one?
The canonical SMILES for 3-methyl-2H-anthracen-1-one is CC1=Cc2cc3ccccc3cc2C(=O)C1.
What is the InChIKey of 3-methyl-2H-anthracen-1-one?
The InChIKey is BZVCGEPNAQDQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O/c1-10-6-13-8-11-4-2-3-5-12(11)9-14(13)15(16)7-10/h2-6,8-9H,7H2,1H3.
What are the key properties of 3-methyl-2H-anthracen-1-one?
3-methyl-2H-anthracen-1-one has a molecular weight of 208.26 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-anthracen-1-one is sourced from PubChem (CID 141307258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).