[3,4-dimethoxy-2-[methoxy-(2-methoxyphenyl)methyl]phenyl]-phenylmethanone

C24H24O5 — CID 175008315

IUPAC[3,4-dimethoxy-2-[methoxy-(2-methoxyphenyl)methyl]phenyl]-phenylmethanone
SMILESCOc1ccccc1C(OC)c1c(C(=O)c2ccccc2)ccc(OC)c1OC
InChIInChI=1S/C24H24O5/c1-26-19-13-9-8-12-17(19)23(28-3)21-18(14-15-20(27-2)24(21)29-4)22(25)16-10-6-5-7-11-16/h5-15,23H,1-4H3
InChIKeyBFMISQKYKICIHH-UHFFFAOYSA-N
MW392.45 g/mol
LogP4.68
Rot. Bonds8

About [3,4-dimethoxy-2-[methoxy-(2-methoxyphenyl)methyl]phenyl]-phenylmethanone

[3,4-dimethoxy-2-[methoxy-(2-methoxyphenyl)methyl]phenyl]-phenylmethanone (PubChem CID 175008315) has the molecular formula C24H24O5 and a molecular weight of 392.45 g/mol. Its IUPAC name is [3,4-dimethoxy-2-[methoxy-(2-methoxyphenyl)methyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3,4-dimethoxy-2-[methoxy-(2-methoxyphenyl)methyl]phenyl]-phenylmethanone
PubChem CID175008315
Molecular FormulaC24H24O5
Molecular Weight392.45 g/mol
Exact Mass392.16
IUPAC Name[3,4-dimethoxy-2-[methoxy-(2-methoxyphenyl)methyl]phenyl]-phenylmethanone
SMILESCOc1ccccc1C(OC)c1c(C(=O)c2ccccc2)ccc(OC)c1OC
InChIInChI=1S/C24H24O5/c1-26-19-13-9-8-12-17(19)23(28-3)21-18(14-15-20(27-2)24(21)29-4)22(25)16-10-6-5-7-11-16/h5-15,23H,1-4H3
InChIKeyBFMISQKYKICIHH-UHFFFAOYSA-N
XLogP4.68
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone
CID 175021550
[2-(hydroxymethyl)-3,4-dimethoxyphenyl]-phenylmethanone
CID 58297973
(4-benzoylphenyl) 2,3,4-trimethoxybenzoate
CID 9095487
(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone
CID 43588922
[2-(2-methoxyphenoxy)phenyl]-phenylmethanone
CID 157433245
2-(2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 54776000
2-benzoyloxyethyl 2,3,4-trimethoxybenzoate
CID 30194766
(2-iodo-3-methoxyphenyl)-phenylmethanone
CID 134227112
(2-amino-3-methoxyphenyl)-phenylmethanone
CID 18185399
2-(2,3-dimethoxyphenyl)-2-methoxyacetic acid
CID 83224228
[5-[(5-benzoyl-4-hydroxy-2-methoxyphenyl)-[bis(5-benzoyl-4-hydroxy-2-methoxyphenyl)methylperoxy]methyl]-2-hydroxy-4-methoxyphenyl]-phenylmethanone
CID 139830440
2,3,4-trimethoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 90598793

Frequently Asked Questions

What is the IUPAC name of [3,4-dimethoxy-2-[methoxy-(2-methoxyphenyl)methyl]phenyl]-phenylmethanone?
The IUPAC name of [3,4-dimethoxy-2-[methoxy-(2-methoxyphenyl)methyl]phenyl]-phenylmethanone (CID 175008315) is [3,4-dimethoxy-2-[methoxy-(2-methoxyphenyl)methyl]phenyl]-phenylmethanone.
What is the SMILES notation for [3,4-dimethoxy-2-[methoxy-(2-methoxyphenyl)methyl]phenyl]-phenylmethanone?
The canonical SMILES for [3,4-dimethoxy-2-[methoxy-(2-methoxyphenyl)methyl]phenyl]-phenylmethanone is COc1ccccc1C(OC)c1c(C(=O)c2ccccc2)ccc(OC)c1OC.
What is the InChIKey of [3,4-dimethoxy-2-[methoxy-(2-methoxyphenyl)methyl]phenyl]-phenylmethanone?
The InChIKey is BFMISQKYKICIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O5/c1-26-19-13-9-8-12-17(19)23(28-3)21-18(14-15-20(27-2)24(21)29-4)22(25)16-10-6-5-7-11-16/h5-15,23H,1-4H3.
What are the key properties of [3,4-dimethoxy-2-[methoxy-(2-methoxyphenyl)methyl]phenyl]-phenylmethanone?
[3,4-dimethoxy-2-[methoxy-(2-methoxyphenyl)methyl]phenyl]-phenylmethanone has a molecular weight of 392.45 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dimethoxy-2-[methoxy-(2-methoxyphenyl)methyl]phenyl]-phenylmethanone is sourced from PubChem (CID 175008315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).