(3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)-(2,6-dimethylphenyl)methanone

C25H26O4 — CID 22719952

IUPAC(3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)-(2,6-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2c(C)cccc2C)c(OCc2ccccc2)c1OC
InChIInChI=1S/C25H26O4/c1-16-10-9-11-17(2)21(16)23(26)22-18(3)14-20(27-4)24(28-5)25(22)29-15-19-12-7-6-8-13-19/h6-14H,15H2,1-5H3
InChIKeyDQIMACKVSUXRFK-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.44
Rot. Bonds7

About (3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)-(2,6-dimethylphenyl)methanone

(3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)-(2,6-dimethylphenyl)methanone (PubChem CID 22719952) has the molecular formula C25H26O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is (3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)-(2,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)-(2,6-dimethylphenyl)methanone
PubChem CID22719952
Molecular FormulaC25H26O4
Molecular Weight390.48 g/mol
Exact Mass390.18
IUPAC Name(3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)-(2,6-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2c(C)cccc2C)c(OCc2ccccc2)c1OC
InChIInChI=1S/C25H26O4/c1-16-10-9-11-17(2)21(16)23(26)22-18(3)14-20(27-4)24(28-5)25(22)29-15-19-12-7-6-8-13-19/h6-14H,15H2,1-5H3
InChIKeyDQIMACKVSUXRFK-UHFFFAOYSA-N
XLogP5.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)-(2,6-dimethylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chloro-6-methoxyphenyl)-(3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)methanone
CID 15430946
[3-methyl-2-(2,3,4-trimethoxy-6-methylbenzoyl)phenyl] acetate
CID 22671378
phenyl 3-methoxy-2,5-dimethyl-6-phenylmethoxybenzoate
CID 88854777
(3-bromo-2-methoxy-6-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 18185404
(3-methoxy-2,6-dimethylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 22671386
1-(2,3,6-trimethoxy-4-phenylmethoxyphenyl)ethanone
CID 139365460
methyl 2-bromo-4,5-dimethoxy-3-phenylmethoxybenzoate
CID 164681646
benzoyl bromide;phenyl-(2,3,4-trimethoxy-6-methylphenyl)methanone;1,2,3-trimethoxy-5-methylbenzene
CID 158614208
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 27760684
3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde
CID 57327464
5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene
CID 67273337
3,5-dimethoxy-4-phenylmethoxybenzoic acid;3,5-dimethoxy-4-phenylmethoxybenzoyl chloride
CID 159259540

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)-(2,6-dimethylphenyl)methanone?
The IUPAC name of (3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)-(2,6-dimethylphenyl)methanone (CID 22719952) is (3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)-(2,6-dimethylphenyl)methanone.
What is the SMILES notation for (3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)-(2,6-dimethylphenyl)methanone?
The canonical SMILES for (3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)-(2,6-dimethylphenyl)methanone is COc1cc(C)c(C(=O)c2c(C)cccc2C)c(OCc2ccccc2)c1OC.
What is the InChIKey of (3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)-(2,6-dimethylphenyl)methanone?
The InChIKey is DQIMACKVSUXRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O4/c1-16-10-9-11-17(2)21(16)23(26)22-18(3)14-20(27-4)24(28-5)25(22)29-15-19-12-7-6-8-13-19/h6-14H,15H2,1-5H3.
What are the key properties of (3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)-(2,6-dimethylphenyl)methanone?
(3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)-(2,6-dimethylphenyl)methanone has a molecular weight of 390.48 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)-(2,6-dimethylphenyl)methanone is sourced from PubChem (CID 22719952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).