(4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone

C16H15ClO3 — CID 115781862

IUPAC(4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(C)ccc2OC)ccc1Cl
InChIInChI=1S/C16H15ClO3/c1-10-4-7-14(19-2)12(8-10)16(18)11-5-6-13(17)15(9-11)20-3/h4-9H,1-3H3
InChIKeyUSPWJUPWSNPBLR-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.90
Rot. Bonds4

About (4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone

(4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone (PubChem CID 115781862) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
PubChem CID115781862
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name(4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(C)ccc2OC)ccc1Cl
InChIInChI=1S/C16H15ClO3/c1-10-4-7-14(19-2)12(8-10)16(18)11-5-6-13(17)15(9-11)20-3/h4-9H,1-3H3
InChIKeyUSPWJUPWSNPBLR-UHFFFAOYSA-N
XLogP3.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-3-methoxyphenyl)-(2,5-dimethylphenyl)methanone
CID 115781783
(3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 43625949
(3,4-diethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115481824
(4-chloro-3-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 115781836
(4-chloro-3-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 107998309
(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43161713
(5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 112694008
(4-chloro-3-methoxyphenyl)-(2,4-dibromophenyl)methanone
CID 107944607
(4-chloro-3-methoxyphenyl)-(2,5-difluorophenyl)methanone
CID 79699081
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
(3,5-dibromophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 107976766
(3-amino-4-methylphenyl)-(4-chloro-3-methoxyphenyl)methanone
CID 116551045

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone?
The IUPAC name of (4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone (CID 115781862) is (4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone is COc1cc(C(=O)c2cc(C)ccc2OC)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone?
The InChIKey is USPWJUPWSNPBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-10-4-7-14(19-2)12(8-10)16(18)11-5-6-13(17)15(9-11)20-3/h4-9H,1-3H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone?
(4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone has a molecular weight of 290.75 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone is sourced from PubChem (CID 115781862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).