(5-chloro-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanone

C17H17ClO3 — CID 106681940

IUPAC(5-chloro-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)c1c(C)cc(C)cc1OC
InChIInChI=1S/C17H17ClO3/c1-10-7-11(2)16(15(8-10)21-4)17(19)13-9-12(18)5-6-14(13)20-3/h5-9H,1-4H3
InChIKeyXTBGZPBLWQSOGB-UHFFFAOYSA-N
MW304.77 g/mol
LogP4.21
Rot. Bonds4

About (5-chloro-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanone

(5-chloro-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanone (PubChem CID 106681940) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
PubChem CID106681940
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name(5-chloro-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)c1c(C)cc(C)cc1OC
InChIInChI=1S/C17H17ClO3/c1-10-7-11(2)16(15(8-10)21-4)17(19)13-9-12(18)5-6-14(13)20-3/h5-9H,1-4H3
InChIKeyXTBGZPBLWQSOGB-UHFFFAOYSA-N
XLogP4.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxy-4,6-dimethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 106681983
(5-bromo-2-chlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681918
(3-chloro-4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106679955
(5-iodo-2-methoxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43339738
(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43161713
(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522
(5-chloro-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 81274056
5-chloro-2-methoxybenzoate
CID 6933314
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
(5-chloro-2-methoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43339476
(5-chloro-2-methoxyphenyl)-(2-iodo-3-methylphenyl)methanone
CID 114029899
(5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 112694008

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanone (CID 106681940) is (5-chloro-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanone is COc1ccc(Cl)cc1C(=O)c1c(C)cc(C)cc1OC.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanone?
The InChIKey is XTBGZPBLWQSOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-10-7-11(2)16(15(8-10)21-4)17(19)13-9-12(18)5-6-14(13)20-3/h5-9H,1-4H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanone?
(5-chloro-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanone has a molecular weight of 304.77 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanone is sourced from PubChem (CID 106681940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).