(2-chlorophenyl)-phenylmethanone;diphenylmethanone

C26H19ClO2 — CID 157388336

IUPAC(2-chlorophenyl)-phenylmethanone;diphenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C13H9ClO.C13H10O/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-9H;1-10H
InChIKeyBLRWBPJTKCYDSD-UHFFFAOYSA-N
MW398.89 g/mol
LogP6.49
Rot. Bonds4

About (2-chlorophenyl)-phenylmethanone;diphenylmethanone

(2-chlorophenyl)-phenylmethanone;diphenylmethanone (PubChem CID 157388336) has the molecular formula C26H19ClO2 and a molecular weight of 398.89 g/mol. Its IUPAC name is (2-chlorophenyl)-phenylmethanone;diphenylmethanone.

Molecular Properties

Compound Name(2-chlorophenyl)-phenylmethanone;diphenylmethanone
PubChem CID157388336
Molecular FormulaC26H19ClO2
Molecular Weight398.89 g/mol
Exact Mass398.11
IUPAC Name(2-chlorophenyl)-phenylmethanone;diphenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C13H9ClO.C13H10O/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-9H;1-10H
InChIKeyBLRWBPJTKCYDSD-UHFFFAOYSA-N
XLogP6.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.89
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

diphenylmethanone
CID 3102
4-(2-chlorobenzoyl)benzaldehyde
CID 82118162
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
CID 18951954
(2-aminophenyl)-phenylmethanone;diphenylmethanone
CID 90112643
diphenylmethanone;ethane
CID 158014879
magnesium;diphenylmethanone;hydride
CID 175114327
diphenylmethanone;hydron;fluoride
CID 21465824

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-phenylmethanone;diphenylmethanone?
The IUPAC name of (2-chlorophenyl)-phenylmethanone;diphenylmethanone (CID 157388336) is (2-chlorophenyl)-phenylmethanone;diphenylmethanone.
What is the SMILES notation for (2-chlorophenyl)-phenylmethanone;diphenylmethanone?
The canonical SMILES for (2-chlorophenyl)-phenylmethanone;diphenylmethanone is O=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-phenylmethanone;diphenylmethanone?
The InChIKey is BLRWBPJTKCYDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO.C13H10O/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-9H;1-10H.
What are the key properties of (2-chlorophenyl)-phenylmethanone;diphenylmethanone?
(2-chlorophenyl)-phenylmethanone;diphenylmethanone has a molecular weight of 398.89 g/mol, XLogP of 6.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-phenylmethanone;diphenylmethanone is sourced from PubChem (CID 157388336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).