1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxy-2-methylbenzene

C17H19ClO3 — CID 61084322

IUPAC1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxy-2-methylbenzene
SMILESCOc1ccc(C(Cl)c2c(OC)cccc2OC)c(C)c1
InChIInChI=1S/C17H19ClO3/c1-11-10-12(19-2)8-9-13(11)17(18)16-14(20-3)6-5-7-15(16)21-4/h5-10,17H,1-4H3
InChIKeyLTIIYZGKJYJDCV-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.35
Rot. Bonds5

About 1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxy-2-methylbenzene

1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxy-2-methylbenzene (PubChem CID 61084322) has the molecular formula C17H19ClO3 and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxy-2-methylbenzene.

Molecular Properties

Compound Name1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxy-2-methylbenzene
PubChem CID61084322
Molecular FormulaC17H19ClO3
Molecular Weight306.79 g/mol
Exact Mass306.10
IUPAC Name1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxy-2-methylbenzene
SMILESCOc1ccc(C(Cl)c2c(OC)cccc2OC)c(C)c1
InChIInChI=1S/C17H19ClO3/c1-11-10-12(19-2)8-9-13(11)17(18)16-14(20-3)6-5-7-15(16)21-4/h5-10,17H,1-4H3
InChIKeyLTIIYZGKJYJDCV-UHFFFAOYSA-N
XLogP4.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxy-2-methylbenzene 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-bromo-1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxybenzene
CID 63434919
1-[chloro-(3-methylphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63430237
1-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-2,4-dimethylbenzene
CID 65432513
(2-fluoro-6-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 65433478
2,2-dichloro-1-(4-methoxy-2-methylphenyl)ethanol
CID 164892247
1-[chloro-(3-propan-2-yloxyphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63430154
3-[chloro-(2,6-dimethoxyphenyl)methyl]-2,5-dimethylthiophene
CID 61084593
2-[chloro-(2,5-dimethoxyphenyl)methyl]-1,3,5-trimethylbenzene
CID 63429668
2-[chloro-(2,6-dimethoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 61085421
5-[chloro-(4-methoxy-2-methylphenyl)methyl]-1,2,3-trifluorobenzene
CID 63186404
(2-amino-3-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 107469490
(2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 43198782

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxy-2-methylbenzene?
The IUPAC name of 1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxy-2-methylbenzene (CID 61084322) is 1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxy-2-methylbenzene.
What is the SMILES notation for 1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxy-2-methylbenzene?
The canonical SMILES for 1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxy-2-methylbenzene is COc1ccc(C(Cl)c2c(OC)cccc2OC)c(C)c1.
What is the InChIKey of 1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxy-2-methylbenzene?
The InChIKey is LTIIYZGKJYJDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO3/c1-11-10-12(19-2)8-9-13(11)17(18)16-14(20-3)6-5-7-15(16)21-4/h5-10,17H,1-4H3.
What are the key properties of 1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxy-2-methylbenzene?
1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxy-2-methylbenzene has a molecular weight of 306.79 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxy-2-methylbenzene is sourced from PubChem (CID 61084322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).