(5-chloro-2-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone

C19H21ClO — CID 82870554

IUPAC(5-chloro-2-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
SMILESCCC(C)(C)c1ccc(C(=O)c2cc(Cl)ccc2C)cc1
InChIInChI=1S/C19H21ClO/c1-5-19(3,4)15-9-7-14(8-10-15)18(21)17-12-16(20)11-6-13(17)2/h6-12H,5H2,1-4H3
InChIKeyBGNBQOORBMWGIG-UHFFFAOYSA-N
MW300.83 g/mol
LogP5.57
Rot. Bonds4

About (5-chloro-2-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone

(5-chloro-2-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone (PubChem CID 82870554) has the molecular formula C19H21ClO and a molecular weight of 300.83 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
PubChem CID82870554
Molecular FormulaC19H21ClO
Molecular Weight300.83 g/mol
Exact Mass300.13
IUPAC Name(5-chloro-2-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
SMILESCCC(C)(C)c1ccc(C(=O)c2cc(Cl)ccc2C)cc1
InChIInChI=1S/C19H21ClO/c1-5-19(3,4)15-9-7-14(8-10-15)18(21)17-12-16(20)11-6-13(17)2/h6-12H,5H2,1-4H3
InChIKeyBGNBQOORBMWGIG-UHFFFAOYSA-N
XLogP5.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.83
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 66245563
(5-amino-2-chlorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 66258055
(4-amino-2-chlorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 66259410
(2-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 81481916
N-[4-(5-chloro-2-methylbenzoyl)phenyl]acetamide
CID 82883579
(5-bromo-2-methylphenyl)-(4-tert-butylphenyl)methanone
CID 65306382
(5-chlorofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 106683844
N-(5-chloro-2-methylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093280
5-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride
CID 120624182
4-chloro-3-[4-(2-methylbutan-2-yl)phenyl]benzoic acid
CID 107990138
1-(5-chloro-2-methylphenyl)-2,2,2-triiodoethanone
CID 169225432
(5-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methanone
CID 43339976

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone?
The IUPAC name of (5-chloro-2-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone (CID 82870554) is (5-chloro-2-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone.
What is the SMILES notation for (5-chloro-2-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone?
The canonical SMILES for (5-chloro-2-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone is CCC(C)(C)c1ccc(C(=O)c2cc(Cl)ccc2C)cc1.
What is the InChIKey of (5-chloro-2-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone?
The InChIKey is BGNBQOORBMWGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClO/c1-5-19(3,4)15-9-7-14(8-10-15)18(21)17-12-16(20)11-6-13(17)2/h6-12H,5H2,1-4H3.
What are the key properties of (5-chloro-2-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone?
(5-chloro-2-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone has a molecular weight of 300.83 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone is sourced from PubChem (CID 82870554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).