(4-chlorophenyl)-(4-methoxy-3-propylphenyl)methanone

C17H17ClO2 — CID 166082039

IUPAC(4-chlorophenyl)-(4-methoxy-3-propylphenyl)methanone
SMILESCCCc1cc(C(=O)c2ccc(Cl)cc2)ccc1OC
InChIInChI=1S/C17H17ClO2/c1-3-4-13-11-14(7-10-16(13)20-2)17(19)12-5-8-15(18)9-6-12/h5-11H,3-4H2,1-2H3
InChIKeyXQKWXUSLLGSERH-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.53
Rot. Bonds5

About (4-chlorophenyl)-(4-methoxy-3-propylphenyl)methanone

(4-chlorophenyl)-(4-methoxy-3-propylphenyl)methanone (PubChem CID 166082039) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is (4-chlorophenyl)-(4-methoxy-3-propylphenyl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(4-methoxy-3-propylphenyl)methanone
PubChem CID166082039
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name(4-chlorophenyl)-(4-methoxy-3-propylphenyl)methanone
SMILESCCCc1cc(C(=O)c2ccc(Cl)cc2)ccc1OC
InChIInChI=1S/C17H17ClO2/c1-3-4-13-11-14(7-10-16(13)20-2)17(19)12-5-8-15(18)9-6-12/h5-11H,3-4H2,1-2H3
InChIKeyXQKWXUSLLGSERH-UHFFFAOYSA-N
XLogP4.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxy-3-propylphenyl)-(4-phenylphenyl)methanone
CID 166044935
(4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 2757552
(5-chloro-2-methoxyphenyl)-(4-propylphenyl)methanone
CID 43338022
(4-butylphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 63492657
(3,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 24723233
(4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone;1-chloro-4-(trichloromethyl)benzene;1,2-dimethoxybenzene
CID 158526476
1-[4-(2-aminoethyl)phenyl]-2-(5-chloro-2-methoxyphenyl)ethanone
CID 116577590
(2S)-2-hydroxy-2-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]propanamide
CID 68684060
[3-bromo-4-(2-methoxyethoxy)phenyl]-(4-chlorophenyl)methanone
CID 104657186
ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4-methoxybenzoyl]benzoate
CID 14739655
N-[2-(5-chloro-2-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 110787720
N-[2-(5-chloro-2-methoxyphenyl)ethyl]pentanamide
CID 110787710

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(4-methoxy-3-propylphenyl)methanone?
The IUPAC name of (4-chlorophenyl)-(4-methoxy-3-propylphenyl)methanone (CID 166082039) is (4-chlorophenyl)-(4-methoxy-3-propylphenyl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(4-methoxy-3-propylphenyl)methanone?
The canonical SMILES for (4-chlorophenyl)-(4-methoxy-3-propylphenyl)methanone is CCCc1cc(C(=O)c2ccc(Cl)cc2)ccc1OC.
What is the InChIKey of (4-chlorophenyl)-(4-methoxy-3-propylphenyl)methanone?
The InChIKey is XQKWXUSLLGSERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-3-4-13-11-14(7-10-16(13)20-2)17(19)12-5-8-15(18)9-6-12/h5-11H,3-4H2,1-2H3.
What are the key properties of (4-chlorophenyl)-(4-methoxy-3-propylphenyl)methanone?
(4-chlorophenyl)-(4-methoxy-3-propylphenyl)methanone has a molecular weight of 288.77 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(4-methoxy-3-propylphenyl)methanone is sourced from PubChem (CID 166082039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).