(3-chloro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone

C18H19ClO — CID 107101871

IUPAC(3-chloro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone
SMILESCc1c(Cl)cccc1C(=O)c1cccc(CC(C)C)c1
InChIInChI=1S/C18H19ClO/c1-12(2)10-14-6-4-7-15(11-14)18(20)16-8-5-9-17(19)13(16)3/h4-9,11-12H,10H2,1-3H3
InChIKeyLRYJBMWKUBPSRT-UHFFFAOYSA-N
MW286.80 g/mol
LogP5.08
Rot. Bonds4

About (3-chloro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone

(3-chloro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone (PubChem CID 107101871) has the molecular formula C18H19ClO and a molecular weight of 286.80 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone
PubChem CID107101871
Molecular FormulaC18H19ClO
Molecular Weight286.80 g/mol
Exact Mass286.11
IUPAC Name(3-chloro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone
SMILESCc1c(Cl)cccc1C(=O)c1cccc(CC(C)C)c1
InChIInChI=1S/C18H19ClO/c1-12(2)10-14-6-4-7-15(11-14)18(20)16-8-5-9-17(19)13(16)3/h4-9,11-12H,10H2,1-3H3
InChIKeyLRYJBMWKUBPSRT-UHFFFAOYSA-N
XLogP5.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.80
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-dichlorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 115812297
(5-bromo-2-chlorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 115812294
(4-chloro-2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543206
2-(2,6-dichlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543159
(3-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 146005798
(4-fluoro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543423
(3-chloro-2-methylphenyl)-(3-methoxyphenyl)methanone
CID 103693734
(3-chloro-2-methylphenyl)-(3,5-dichlorophenyl)methanone
CID 146005790
(2,5-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 115812427
[3-(2-methylpropyl)phenyl]-(2,3,4-trifluorophenyl)methanone
CID 115812361
(2-amino-3-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 107469289
(2,6-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543370

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone?
The IUPAC name of (3-chloro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone (CID 107101871) is (3-chloro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for (3-chloro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone?
The canonical SMILES for (3-chloro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone is Cc1c(Cl)cccc1C(=O)c1cccc(CC(C)C)c1.
What is the InChIKey of (3-chloro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone?
The InChIKey is LRYJBMWKUBPSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO/c1-12(2)10-14-6-4-7-15(11-14)18(20)16-8-5-9-17(19)13(16)3/h4-9,11-12H,10H2,1-3H3.
What are the key properties of (3-chloro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone?
(3-chloro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone has a molecular weight of 286.80 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 107101871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).