(4-chlorophenyl)-(2-propoxyphenyl)methanone

C16H15ClO2 — CID 104659114

IUPAC(4-chlorophenyl)-(2-propoxyphenyl)methanone
SMILESCCCOc1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClO2/c1-2-11-19-15-6-4-3-5-14(15)16(18)12-7-9-13(17)10-8-12/h3-10H,2,11H2,1H3
InChIKeyVUDXHSPYHZQAJK-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.36
Rot. Bonds5

About (4-chlorophenyl)-(2-propoxyphenyl)methanone

(4-chlorophenyl)-(2-propoxyphenyl)methanone (PubChem CID 104659114) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is (4-chlorophenyl)-(2-propoxyphenyl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(2-propoxyphenyl)methanone
PubChem CID104659114
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name(4-chlorophenyl)-(2-propoxyphenyl)methanone
SMILESCCCOc1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClO2/c1-2-11-19-15-6-4-3-5-14(15)16(18)12-7-9-13(17)10-8-12/h3-10H,2,11H2,1H3
InChIKeyVUDXHSPYHZQAJK-UHFFFAOYSA-N
XLogP4.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl-(2-propoxyphenyl)methanone
CID 15556308
(4-ethoxyphenyl)-(2-propoxyphenyl)methanone
CID 115800643
N'-(4-chlorobenzoyl)-2-propoxybenzohydrazide
CID 4931565
(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800840
(2-propoxyphenyl)-pyridin-4-ylmethanone
CID 113438187
N-[1-(4-chlorophenyl)ethylideneamino]-2-propoxybenzamide
CID 4931511
(3-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800817
(2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanone
CID 115800741
(3-bromo-5-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800762
1-O-[2-[2-(4-chlorobenzoyl)phenoxy]ethyl] 4-O-(2-prop-2-enoyloxyethyl) butanedioate
CID 175485181
(4-chlorophenyl)-(2-pyridin-2-yloxyphenyl)methanone
CID 132518040
(4-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanone
CID 104659409

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2-propoxyphenyl)methanone?
The IUPAC name of (4-chlorophenyl)-(2-propoxyphenyl)methanone (CID 104659114) is (4-chlorophenyl)-(2-propoxyphenyl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(2-propoxyphenyl)methanone?
The canonical SMILES for (4-chlorophenyl)-(2-propoxyphenyl)methanone is CCCOc1ccccc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-(2-propoxyphenyl)methanone?
The InChIKey is VUDXHSPYHZQAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-2-11-19-15-6-4-3-5-14(15)16(18)12-7-9-13(17)10-8-12/h3-10H,2,11H2,1H3.
What are the key properties of (4-chlorophenyl)-(2-propoxyphenyl)methanone?
(4-chlorophenyl)-(2-propoxyphenyl)methanone has a molecular weight of 274.75 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2-propoxyphenyl)methanone is sourced from PubChem (CID 104659114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).