1-(4-chloro-3-ethylphenyl)-2-phenylbutan-1-one

C18H19ClO — CID 146008361

IUPAC1-(4-chloro-3-ethylphenyl)-2-phenylbutan-1-one
SMILESCCc1cc(C(=O)C(CC)c2ccccc2)ccc1Cl
InChIInChI=1S/C18H19ClO/c1-3-13-12-15(10-11-17(13)19)18(20)16(4-2)14-8-6-5-7-9-14/h5-12,16H,3-4H2,1-2H3
InChIKeyRWUJNTPCCAGZLX-UHFFFAOYSA-N
MW286.80 g/mol
LogP5.28
Rot. Bonds5

About 1-(4-chloro-3-ethylphenyl)-2-phenylbutan-1-one

1-(4-chloro-3-ethylphenyl)-2-phenylbutan-1-one (PubChem CID 146008361) has the molecular formula C18H19ClO and a molecular weight of 286.80 g/mol. Its IUPAC name is 1-(4-chloro-3-ethylphenyl)-2-phenylbutan-1-one.

Molecular Properties

Compound Name1-(4-chloro-3-ethylphenyl)-2-phenylbutan-1-one
PubChem CID146008361
Molecular FormulaC18H19ClO
Molecular Weight286.80 g/mol
Exact Mass286.11
IUPAC Name1-(4-chloro-3-ethylphenyl)-2-phenylbutan-1-one
SMILESCCc1cc(C(=O)C(CC)c2ccccc2)ccc1Cl
InChIInChI=1S/C18H19ClO/c1-3-13-12-15(10-11-17(13)19)18(20)16(4-2)14-8-6-5-7-9-14/h5-12,16H,3-4H2,1-2H3
InChIKeyRWUJNTPCCAGZLX-UHFFFAOYSA-N
XLogP5.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.80
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-3-fluorophenyl)-2-phenylbutan-1-one
CID 146005749
1-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylbutan-1-one
CID 146008511
1-(2-chloro-5-methylphenyl)-2-phenylbutan-1-one
CID 146009774
(2R)-1-(4-hydroxyphenyl)-2-phenylbutan-1-one
CID 914909
(2S)-1-(3-hydroxyphenyl)-2-phenylbutan-1-one
CID 125480458
2-phenyl-1-(3-propan-2-ylphenyl)butan-1-one
CID 146007205
4-chloro-3-ethylbenzoic acid
CID 21412279
2-bromo-1-(4-chloro-3-ethylphenyl)propan-1-one
CID 131030285
1-(4-iodophenyl)-2-phenylbutan-1-one
CID 11772471
1-(1,3-dihydro-2-benzofuran-5-yl)-2-phenylbutan-1-one
CID 63021260
1-(2-chloro-5-methoxyphenyl)-2-phenylbutan-1-one
CID 146009638
1-(4-fluoro-3-methoxyphenyl)-2-phenylbutan-1-one
CID 146006844

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-ethylphenyl)-2-phenylbutan-1-one?
The IUPAC name of 1-(4-chloro-3-ethylphenyl)-2-phenylbutan-1-one (CID 146008361) is 1-(4-chloro-3-ethylphenyl)-2-phenylbutan-1-one.
What is the SMILES notation for 1-(4-chloro-3-ethylphenyl)-2-phenylbutan-1-one?
The canonical SMILES for 1-(4-chloro-3-ethylphenyl)-2-phenylbutan-1-one is CCc1cc(C(=O)C(CC)c2ccccc2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-ethylphenyl)-2-phenylbutan-1-one?
The InChIKey is RWUJNTPCCAGZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO/c1-3-13-12-15(10-11-17(13)19)18(20)16(4-2)14-8-6-5-7-9-14/h5-12,16H,3-4H2,1-2H3.
What are the key properties of 1-(4-chloro-3-ethylphenyl)-2-phenylbutan-1-one?
1-(4-chloro-3-ethylphenyl)-2-phenylbutan-1-one has a molecular weight of 286.80 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-ethylphenyl)-2-phenylbutan-1-one is sourced from PubChem (CID 146008361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).