(2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone

C18H19ClO — CID 43159787

IUPAC(2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
SMILESCc1c(C)c(C)c(C(=O)c2ccccc2Cl)c(C)c1C
InChIInChI=1S/C18H19ClO/c1-10-11(2)13(4)17(14(5)12(10)3)18(20)15-8-6-7-9-16(15)19/h6-9H,1-5H3
InChIKeyCDAOCVRFOKPBEI-UHFFFAOYSA-N
MW286.80 g/mol
LogP5.11
Rot. Bonds2

About (2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone

(2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone (PubChem CID 43159787) has the molecular formula C18H19ClO and a molecular weight of 286.80 g/mol. Its IUPAC name is (2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
PubChem CID43159787
Molecular FormulaC18H19ClO
Molecular Weight286.80 g/mol
Exact Mass286.11
IUPAC Name(2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
SMILESCc1c(C)c(C)c(C(=O)c2ccccc2Cl)c(C)c1C
InChIInChI=1S/C18H19ClO/c1-10-11(2)13(4)17(14(5)12(10)3)18(20)15-8-6-7-9-16(15)19/h6-9H,1-5H3
InChIKeyCDAOCVRFOKPBEI-UHFFFAOYSA-N
XLogP5.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.80
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(2,6-dichlorobenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium
CID 173245773
[4-(2-chlorobenzoyl)-3,5-dimethylphenyl]-(2-chlorophenyl)methanone
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(2-amino-4,5-dimethylthiophen-3-yl)-(2-chlorophenyl)methanone
CID 859637
3-(2-chlorobenzoyl)-4-hydroxy-1,6-dimethylpyridin-2-one
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(2-chlorophenyl)-phenylmethanone;diphenylmethanone
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(2-chlorophenyl)-(2-methylthiophen-3-yl)methanone
CID 102830683
(2-chlorophenyl)-(5-methyl-2,4-diphenylfuran-3-yl)methanone
CID 134835220
(2-chlorophenyl)-[4-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrrol-3-yl]methanone
CID 70433577
1-(2-chlorophenyl)ethanone;hydrochloride
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(2-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
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(3-chloro-5-methylphenyl)-(2-chlorophenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
The IUPAC name of (2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone (CID 43159787) is (2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
The canonical SMILES for (2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone is Cc1c(C)c(C)c(C(=O)c2ccccc2Cl)c(C)c1C.
What is the InChIKey of (2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
The InChIKey is CDAOCVRFOKPBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO/c1-10-11(2)13(4)17(14(5)12(10)3)18(20)15-8-6-7-9-16(15)19/h6-9H,1-5H3.
What are the key properties of (2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
(2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone has a molecular weight of 286.80 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone is sourced from PubChem (CID 43159787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).