CID 58107081

C14H11NO — CID 58107081

IUPAC—
SMILES[CH]c1cc(C)cc(C(=O)c2ccccc2)n1
InChIInChI=1S/C14H11NO/c1-10-8-11(2)15-13(9-10)14(16)12-6-4-3-5-7-12/h2-9H,1H3
InChIKeyYCGMVGOFYZXRSS-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.68
Rot. Bonds2

About CID 58107081

CID 58107081 (PubChem CID 58107081) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol.

Molecular Properties

Compound NameCID 58107081
PubChem CID58107081
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name—
SMILES[CH]c1cc(C)cc(C(=O)c2ccccc2)n1
InChIInChI=1S/C14H11NO/c1-10-8-11(2)15-13(9-10)14(16)12-6-4-3-5-7-12/h2-9H,1H3
InChIKeyYCGMVGOFYZXRSS-UHFFFAOYSA-N
XLogP2.68
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-benzoyl-6-methylpyrimidin-2-yl)ethanone
CID 15186733
(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
(3,5-dimethylphenyl)-(4-methylquinolin-2-yl)methanone
CID 114754669
diphenylmethanone;ethane;toluene
CID 157406780
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
diphenylmethanone;ethane
CID 158014879
(6-chloro-2-methylsulfanylpyrimidin-4-yl)-phenylmethanone
CID 134202275
diphenylmethanone
CID 3102
anthracene;diphenylmethanone
CID 87408663
1-[3-benzoyl-5-methyl-2-(pyridine-4-carbonyl)phenyl]ethanone
CID 14765290
(3,5-dimethylphenyl)-quinolin-2-ylmethanone
CID 63222794

Frequently Asked Questions

What is the IUPAC name of CID 58107081?
The IUPAC name of CID 58107081 (CID 58107081) is not available.
What is the SMILES notation for CID 58107081?
The canonical SMILES for CID 58107081 is [CH]c1cc(C)cc(C(=O)c2ccccc2)n1.
What is the InChIKey of CID 58107081?
The InChIKey is YCGMVGOFYZXRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-10-8-11(2)15-13(9-10)14(16)12-6-4-3-5-7-12/h2-9H,1H3.
What are the key properties of CID 58107081?
CID 58107081 has a molecular weight of 209.25 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58107081 is sourced from PubChem (CID 58107081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).