(3-methoxy-2,6-dimethylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone

C20H24O5 — CID 22671386

IUPAC(3-methoxy-2,6-dimethylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
SMILESCOc1ccc(C)c(C(=O)c2c(C)cc(OC)c(OC)c2OC)c1C
InChIInChI=1S/C20H24O5/c1-11-8-9-14(22-4)13(3)16(11)18(21)17-12(2)10-15(23-5)19(24-6)20(17)25-7/h8-10H,1-7H3
InChIKeyVNZAFKURFBCMHB-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.88
Rot. Bonds6

About (3-methoxy-2,6-dimethylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone

(3-methoxy-2,6-dimethylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone (PubChem CID 22671386) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is (3-methoxy-2,6-dimethylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone.

Molecular Properties

Compound Name(3-methoxy-2,6-dimethylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
PubChem CID22671386
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name(3-methoxy-2,6-dimethylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
SMILESCOc1ccc(C)c(C(=O)c2c(C)cc(OC)c(OC)c2OC)c1C
InChIInChI=1S/C20H24O5/c1-11-8-9-14(22-4)13(3)16(11)18(21)17-12(2)10-15(23-5)19(24-6)20(17)25-7/h8-10H,1-7H3
InChIKeyVNZAFKURFBCMHB-UHFFFAOYSA-N
XLogP3.88
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-bromo-2-methoxy-6-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 18185404
(2,6-dimethyl-3-nitrophenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 22671380
[3-methyl-2-(2,3,4-trimethoxy-6-methylbenzoyl)phenyl] acetate
CID 22671378
methyl 2,3,4-trimethoxy-6-methylbenzoate
CID 59466592
(2-chloro-4,6-dimethoxy-3-methylphenyl)-(2,3-dimethoxy-6-methylphenyl)methanone
CID 54014067
[2-(difluoromethoxy)naphthalen-1-yl]-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 19598102
(3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)-(2,6-dimethylphenyl)methanone
CID 22719952
benzoyl bromide;phenyl-(2,3,4-trimethoxy-6-methylphenyl)methanone;1,2,3-trimethoxy-5-methylbenzene
CID 158614208
(3-bromo-6-methoxy-2-methylphenyl)-[2-(hydroxymethyl)-3,4-dimethoxy-6-methylphenyl]methanone
CID 90867708
[5-chloro-2-methoxy-4-(trideuterio(113C)methyl)-3-pyridinyl]-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 71751899
(2,6-dimethoxyphenyl)-(2,3,4,6-tetramethylphenyl)methanone
CID 172752328
(2,6-dimethoxy-3-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone
CID 174779309

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-2,6-dimethylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone?
The IUPAC name of (3-methoxy-2,6-dimethylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone (CID 22671386) is (3-methoxy-2,6-dimethylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone.
What is the SMILES notation for (3-methoxy-2,6-dimethylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone?
The canonical SMILES for (3-methoxy-2,6-dimethylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone is COc1ccc(C)c(C(=O)c2c(C)cc(OC)c(OC)c2OC)c1C.
What is the InChIKey of (3-methoxy-2,6-dimethylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone?
The InChIKey is VNZAFKURFBCMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O5/c1-11-8-9-14(22-4)13(3)16(11)18(21)17-12(2)10-15(23-5)19(24-6)20(17)25-7/h8-10H,1-7H3.
What are the key properties of (3-methoxy-2,6-dimethylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone?
(3-methoxy-2,6-dimethylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone has a molecular weight of 344.41 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2,6-dimethylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone is sourced from PubChem (CID 22671386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).