2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene

C16H17ClO3 — CID 43268081

IUPAC2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2ccc(OC)cc2CCl)cc1
InChIInChI=1S/C16H17ClO3/c1-18-14-5-3-12(4-6-14)11-20-16-8-7-15(19-2)9-13(16)10-17/h3-9H,10-11H2,1-2H3
InChIKeyYKZOGDKEAXDUOH-UHFFFAOYSA-N
MW292.76 g/mol
LogP4.02
Rot. Bonds6

About 2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene

2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene (PubChem CID 43268081) has the molecular formula C16H17ClO3 and a molecular weight of 292.76 g/mol. Its IUPAC name is 2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene.

Molecular Properties

Compound Name2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene
PubChem CID43268081
Molecular FormulaC16H17ClO3
Molecular Weight292.76 g/mol
Exact Mass292.09
IUPAC Name2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2ccc(OC)cc2CCl)cc1
InChIInChI=1S/C16H17ClO3/c1-18-14-5-3-12(4-6-14)11-20-16-8-7-15(19-2)9-13(16)10-17/h3-9H,10-11H2,1-2H3
InChIKeyYKZOGDKEAXDUOH-UHFFFAOYSA-N
XLogP4.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene 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

1-(chloromethyl)-4-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
CID 61270022
2-(chloromethyl)-1-[(3,4-difluorophenyl)methoxy]-4-methoxybenzene
CID 82919668
2-(chloromethyl)-1-[(2-chlorophenyl)methoxy]-4-methoxybenzene
CID 43268073
1-(chloromethyl)-2-[(4-iodophenyl)methoxy]-4-methoxybenzene
CID 65477833
2-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine
CID 82888902
2-(chloromethyl)-1-(3-fluoropropoxy)-4-methoxybenzene
CID 81113741
[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 43141927
2-bromo-5-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]thiophene
CID 43268075
4-bromo-2-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]thiophene
CID 63536703
2-[5-methoxy-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 60906080
4-chloro-2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethoxy]benzene
CID 65445631
2-[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]acetic acid
CID 139026989

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene?
The IUPAC name of 2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene (CID 43268081) is 2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene.
What is the SMILES notation for 2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene?
The canonical SMILES for 2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene is COc1ccc(COc2ccc(OC)cc2CCl)cc1.
What is the InChIKey of 2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene?
The InChIKey is YKZOGDKEAXDUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO3/c1-18-14-5-3-12(4-6-14)11-20-16-8-7-15(19-2)9-13(16)10-17/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene?
2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene has a molecular weight of 292.76 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene is sourced from PubChem (CID 43268081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).