1-[dimethoxy(phenyl)methyl]-2,4-dimethoxybenzene

C17H20O4 — CID 174961611

IUPAC1-[dimethoxy(phenyl)methyl]-2,4-dimethoxybenzene
SMILESCOc1ccc(C(OC)(OC)c2ccccc2)c(OC)c1
InChIInChI=1S/C17H20O4/c1-18-14-10-11-15(16(12-14)19-2)17(20-3,21-4)13-8-6-5-7-9-13/h5-12H,1-4H3
InChIKeyPZBRUKAUXZDHSW-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.20
Rot. Bonds6

About 1-[dimethoxy(phenyl)methyl]-2,4-dimethoxybenzene

1-[dimethoxy(phenyl)methyl]-2,4-dimethoxybenzene (PubChem CID 174961611) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-[dimethoxy(phenyl)methyl]-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-[dimethoxy(phenyl)methyl]-2,4-dimethoxybenzene
PubChem CID174961611
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name1-[dimethoxy(phenyl)methyl]-2,4-dimethoxybenzene
SMILESCOc1ccc(C(OC)(OC)c2ccccc2)c(OC)c1
InChIInChI=1S/C17H20O4/c1-18-14-10-11-15(16(12-14)19-2)17(20-3,21-4)13-8-6-5-7-9-13/h5-12H,1-4H3
InChIKeyPZBRUKAUXZDHSW-UHFFFAOYSA-N
XLogP3.20
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

bis(2,4-dimethoxyphenyl)-phenylmethanol
CID 10833633
2-(2,4-dimethoxyphenyl)-2-hydroxy-2-phenylacetic acid
CID 139609897
1-[(2,4-dimethoxyphenyl)-methoxy-(2-methoxyphenyl)methyl]-2,4-dimethoxybenzene
CID 21464766
1-(2,4-dimethoxyphenyl)-1-phenylbutan-1-amine
CID 62801453
(3,6-dimethoxynaphthalen-2-yl)-(2,4-dimethoxyphenyl)-phenylmethanol
CID 70908135
(2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]-phenylmethanol
CID 101076305
2,4-dimethoxy-1-trityloxybenzene
CID 67899248
1-tert-butyl-4-methoxy-2-phenoxybenzene
CID 143202933
1,4-bis[dimethoxy-(4-methoxyphenyl)methyl]benzene
CID 86224004
2-(2,4-dimethoxyphenyl)-1-phenylbutan-2-amine
CID 79008649
1-(1-chloro-2-methylpropan-2-yl)-2,4-dimethoxybenzene
CID 82081448
1,4-dimethoxy-2-phenoxybenzene;molecular nitrogen
CID 70565966

Frequently Asked Questions

What is the IUPAC name of 1-[dimethoxy(phenyl)methyl]-2,4-dimethoxybenzene?
The IUPAC name of 1-[dimethoxy(phenyl)methyl]-2,4-dimethoxybenzene (CID 174961611) is 1-[dimethoxy(phenyl)methyl]-2,4-dimethoxybenzene.
What is the SMILES notation for 1-[dimethoxy(phenyl)methyl]-2,4-dimethoxybenzene?
The canonical SMILES for 1-[dimethoxy(phenyl)methyl]-2,4-dimethoxybenzene is COc1ccc(C(OC)(OC)c2ccccc2)c(OC)c1.
What is the InChIKey of 1-[dimethoxy(phenyl)methyl]-2,4-dimethoxybenzene?
The InChIKey is PZBRUKAUXZDHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c1-18-14-10-11-15(16(12-14)19-2)17(20-3,21-4)13-8-6-5-7-9-13/h5-12H,1-4H3.
What are the key properties of 1-[dimethoxy(phenyl)methyl]-2,4-dimethoxybenzene?
1-[dimethoxy(phenyl)methyl]-2,4-dimethoxybenzene has a molecular weight of 288.34 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethoxy(phenyl)methyl]-2,4-dimethoxybenzene is sourced from PubChem (CID 174961611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).