1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-2-one

C17H17ClO2 — CID 82540716

IUPAC1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-2-one
SMILESCOc1cc(Cl)c(C)cc1-c1ccc(CC(C)=O)cc1
InChIInChI=1S/C17H17ClO2/c1-11-8-15(17(20-3)10-16(11)18)14-6-4-13(5-7-14)9-12(2)19/h4-8,10H,9H2,1-3H3
InChIKeyHQJYMJKJSBWJTL-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.46
Rot. Bonds4

About 1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-2-one

1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-2-one (PubChem CID 82540716) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-2-one
PubChem CID82540716
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-2-one
SMILESCOc1cc(Cl)c(C)cc1-c1ccc(CC(C)=O)cc1
InChIInChI=1S/C17H17ClO2/c1-11-8-15(17(20-3)10-16(11)18)14-6-4-13(5-7-14)9-12(2)19/h4-8,10H,9H2,1-3H3
InChIKeyHQJYMJKJSBWJTL-UHFFFAOYSA-N
XLogP4.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chloro-2-methoxy-5-methylphenyl)phenol
CID 82039616
4-(4-chloro-2-methoxy-5-methylphenyl)aniline
CID 82039615
1-[5-(4-chloro-2-methoxy-5-methylphenyl)-3-pyridinyl]ethanone
CID 82540718
1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-1-amine
CID 82541451
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107020003
1-[4-(2-fluoro-4-methoxyphenyl)phenyl]propan-2-one
CID 82541027
1-[4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 113080639
5-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-one
CID 83937456
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 4783224
[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl] acetate
CID 2233798
2-[4-(2-chloro-5-methoxyphenyl)phenyl]acetic acid
CID 54758883
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 17427883

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-2-one?
The IUPAC name of 1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-2-one (CID 82540716) is 1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-2-one?
The canonical SMILES for 1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-2-one is COc1cc(Cl)c(C)cc1-c1ccc(CC(C)=O)cc1.
What is the InChIKey of 1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-2-one?
The InChIKey is HQJYMJKJSBWJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-11-8-15(17(20-3)10-16(11)18)14-6-4-13(5-7-14)9-12(2)19/h4-8,10H,9H2,1-3H3.
What are the key properties of 1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-2-one?
1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-2-one has a molecular weight of 288.77 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-2-one is sourced from PubChem (CID 82540716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).