(2-chloro-4,6-dimethoxy-3-methylphenyl)-(2,3-dimethoxy-6-methylphenyl)methanone

C19H21ClO5 — CID 54014067

IUPAC(2-chloro-4,6-dimethoxy-3-methylphenyl)-(2,3-dimethoxy-6-methylphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)c2c(C)ccc(OC)c2OC)c(Cl)c1C
InChIInChI=1S/C19H21ClO5/c1-10-7-8-12(22-3)19(25-6)15(10)18(21)16-14(24-5)9-13(23-4)11(2)17(16)20/h7-9H,1-6H3
InChIKeyKUJXTARLFMGCJA-UHFFFAOYSA-N
MW364.83 g/mol
LogP4.22
Rot. Bonds6

About (2-chloro-4,6-dimethoxy-3-methylphenyl)-(2,3-dimethoxy-6-methylphenyl)methanone

(2-chloro-4,6-dimethoxy-3-methylphenyl)-(2,3-dimethoxy-6-methylphenyl)methanone (PubChem CID 54014067) has the molecular formula C19H21ClO5 and a molecular weight of 364.83 g/mol. Its IUPAC name is (2-chloro-4,6-dimethoxy-3-methylphenyl)-(2,3-dimethoxy-6-methylphenyl)methanone.

Molecular Properties

Compound Name(2-chloro-4,6-dimethoxy-3-methylphenyl)-(2,3-dimethoxy-6-methylphenyl)methanone
PubChem CID54014067
Molecular FormulaC19H21ClO5
Molecular Weight364.83 g/mol
Exact Mass364.11
IUPAC Name(2-chloro-4,6-dimethoxy-3-methylphenyl)-(2,3-dimethoxy-6-methylphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)c2c(C)ccc(OC)c2OC)c(Cl)c1C
InChIInChI=1S/C19H21ClO5/c1-10-7-8-12(22-3)19(25-6)15(10)18(21)16-14(24-5)9-13(23-4)11(2)17(16)20/h7-9H,1-6H3
InChIKeyKUJXTARLFMGCJA-UHFFFAOYSA-N
XLogP4.22
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxy-2,6-dimethylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 22671386
(3-bromo-2-methoxy-6-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 18185404
1-chloro-7,8-dimethoxy-2-methylphenanthrene
CID 10517362
(2,6-dimethyl-3-nitrophenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 22671380
2,6-dichloro-3,5-dimethoxybenzoyl chloride
CID 156633344
1-(2,3-dimethoxy-5,6-dimethylphenyl)ethanone
CID 117297608
2,5-dimethoxy-3,6-dimethylbenzoic acid
CID 23538696
methyl 3,4,6-trimethoxy-2-methylbenzoate
CID 14037919
1-(3-chloro-2-methoxy-6-methylphenyl)ethanone
CID 84668544
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide
CID 116924450
bis(2,4-dimethoxy-6-methylphenyl)methanone
CID 54389353
2-amino-1-(2-chloro-6-methoxy-3-methylphenyl)propan-1-one
CID 84791812

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,6-dimethoxy-3-methylphenyl)-(2,3-dimethoxy-6-methylphenyl)methanone?
The IUPAC name of (2-chloro-4,6-dimethoxy-3-methylphenyl)-(2,3-dimethoxy-6-methylphenyl)methanone (CID 54014067) is (2-chloro-4,6-dimethoxy-3-methylphenyl)-(2,3-dimethoxy-6-methylphenyl)methanone.
What is the SMILES notation for (2-chloro-4,6-dimethoxy-3-methylphenyl)-(2,3-dimethoxy-6-methylphenyl)methanone?
The canonical SMILES for (2-chloro-4,6-dimethoxy-3-methylphenyl)-(2,3-dimethoxy-6-methylphenyl)methanone is COc1cc(OC)c(C(=O)c2c(C)ccc(OC)c2OC)c(Cl)c1C.
What is the InChIKey of (2-chloro-4,6-dimethoxy-3-methylphenyl)-(2,3-dimethoxy-6-methylphenyl)methanone?
The InChIKey is KUJXTARLFMGCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClO5/c1-10-7-8-12(22-3)19(25-6)15(10)18(21)16-14(24-5)9-13(23-4)11(2)17(16)20/h7-9H,1-6H3.
What are the key properties of (2-chloro-4,6-dimethoxy-3-methylphenyl)-(2,3-dimethoxy-6-methylphenyl)methanone?
(2-chloro-4,6-dimethoxy-3-methylphenyl)-(2,3-dimethoxy-6-methylphenyl)methanone has a molecular weight of 364.83 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,6-dimethoxy-3-methylphenyl)-(2,3-dimethoxy-6-methylphenyl)methanone is sourced from PubChem (CID 54014067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).