(4-chloro-3-methoxyphenyl)-(2,5-dimethylphenyl)methanone

C16H15ClO2 — CID 115781783

IUPAC(4-chloro-3-methoxyphenyl)-(2,5-dimethylphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(C)ccc2C)ccc1Cl
InChIInChI=1S/C16H15ClO2/c1-10-4-5-11(2)13(8-10)16(18)12-6-7-14(17)15(9-12)19-3/h4-9H,1-3H3
InChIKeyYTVUJGQZLOKUHA-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.20
Rot. Bonds3

About (4-chloro-3-methoxyphenyl)-(2,5-dimethylphenyl)methanone

(4-chloro-3-methoxyphenyl)-(2,5-dimethylphenyl)methanone (PubChem CID 115781783) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-(2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-(2,5-dimethylphenyl)methanone
PubChem CID115781783
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name(4-chloro-3-methoxyphenyl)-(2,5-dimethylphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(C)ccc2C)ccc1Cl
InChIInChI=1S/C16H15ClO2/c1-10-4-5-11(2)13(8-10)16(18)12-6-7-14(17)15(9-12)19-3/h4-9H,1-3H3
InChIKeyYTVUJGQZLOKUHA-UHFFFAOYSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115781862
(3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 43625949
(3-amino-4-methylphenyl)-(4-chloro-3-methoxyphenyl)methanone
CID 116551045
(4-chloro-3-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 115781836
(3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanone
CID 63048757
(3-bromo-4-ethoxyphenyl)-(2,5-dimethylphenyl)methanone
CID 104656758
(2-chloro-4-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 106860799
(4-chloro-3-methoxyphenyl)-(2,5-difluorophenyl)methanone
CID 79699081
(4-chloro-3-methoxyphenyl)-(2,4-dibromophenyl)methanone
CID 107944607
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
(4-chloro-3-methoxyphenyl)-(2-methylsulfanylphenyl)methanone
CID 115781785
(2,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 43337276

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-(2,5-dimethylphenyl)methanone?
The IUPAC name of (4-chloro-3-methoxyphenyl)-(2,5-dimethylphenyl)methanone (CID 115781783) is (4-chloro-3-methoxyphenyl)-(2,5-dimethylphenyl)methanone.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-(2,5-dimethylphenyl)methanone?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-(2,5-dimethylphenyl)methanone is COc1cc(C(=O)c2cc(C)ccc2C)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-(2,5-dimethylphenyl)methanone?
The InChIKey is YTVUJGQZLOKUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-10-4-5-11(2)13(8-10)16(18)12-6-7-14(17)15(9-12)19-3/h4-9H,1-3H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-(2,5-dimethylphenyl)methanone?
(4-chloro-3-methoxyphenyl)-(2,5-dimethylphenyl)methanone has a molecular weight of 274.75 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-(2,5-dimethylphenyl)methanone is sourced from PubChem (CID 115781783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).