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

C16H17ClO3 — CID 61270022

IUPAC1-(chloromethyl)-4-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2cc(OC)ccc2CCl)cc1
InChIInChI=1S/C16H17ClO3/c1-18-14-6-3-12(4-7-14)11-20-16-9-15(19-2)8-5-13(16)10-17/h3-9H,10-11H2,1-2H3
InChIKeyMVGURUXYKPNSSD-UHFFFAOYSA-N
MW292.76 g/mol
LogP4.02
Rot. Bonds6

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

1-(chloromethyl)-4-methoxy-2-[(4-methoxyphenyl)methoxy]benzene (PubChem CID 61270022) has the molecular formula C16H17ClO3 and a molecular weight of 292.76 g/mol. Its IUPAC name is 1-(chloromethyl)-4-methoxy-2-[(4-methoxyphenyl)methoxy]benzene.

Molecular Properties

Compound Name1-(chloromethyl)-4-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
PubChem CID61270022
Molecular FormulaC16H17ClO3
Molecular Weight292.76 g/mol
Exact Mass292.09
IUPAC Name1-(chloromethyl)-4-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2cc(OC)ccc2CCl)cc1
InChIInChI=1S/C16H17ClO3/c1-18-14-6-3-12(4-7-14)11-20-16-9-15(19-2)8-5-13(16)10-17/h3-9H,10-11H2,1-2H3
InChIKeyMVGURUXYKPNSSD-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 1-(chloromethyl)-4-methoxy-2-[(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)-2-[(4-iodophenyl)methoxy]-4-methoxybenzene
CID 65477833
2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene
CID 43268081
2,4-dimethoxy-1-[3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]propyl]benzene
CID 139826649
2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]pyrimidine
CID 62700508
2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine
CID 82885946
1-(bromomethyl)-2-[(4-chlorophenyl)methoxy]-4-methoxybenzene
CID 63534195
1-(chloromethyl)-4-methoxy-2-[(3-nitrophenyl)methoxy]benzene
CID 61269650
1-(chloromethyl)-4-methoxy-2-(2-methylpropoxy)benzene
CID 61268907
1-(chloromethyl)-2-decoxy-4-methoxybenzene
CID 63534859
1-(bromomethyl)-4-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 63534360
2,4-dimethoxy-1-[3-[2-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyphenyl]propyl]benzene
CID 139826525
1-(chloromethyl)-4-methoxy-2-(2-propan-2-yloxyethoxy)benzene
CID 54958015

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-methoxy-2-[(4-methoxyphenyl)methoxy]benzene?
The IUPAC name of 1-(chloromethyl)-4-methoxy-2-[(4-methoxyphenyl)methoxy]benzene (CID 61270022) is 1-(chloromethyl)-4-methoxy-2-[(4-methoxyphenyl)methoxy]benzene.
What is the SMILES notation for 1-(chloromethyl)-4-methoxy-2-[(4-methoxyphenyl)methoxy]benzene?
The canonical SMILES for 1-(chloromethyl)-4-methoxy-2-[(4-methoxyphenyl)methoxy]benzene is COc1ccc(COc2cc(OC)ccc2CCl)cc1.
What is the InChIKey of 1-(chloromethyl)-4-methoxy-2-[(4-methoxyphenyl)methoxy]benzene?
The InChIKey is MVGURUXYKPNSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO3/c1-18-14-6-3-12(4-7-14)11-20-16-9-15(19-2)8-5-13(16)10-17/h3-9H,10-11H2,1-2H3.
What are the key properties of 1-(chloromethyl)-4-methoxy-2-[(4-methoxyphenyl)methoxy]benzene?
1-(chloromethyl)-4-methoxy-2-[(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 1-(chloromethyl)-4-methoxy-2-[(4-methoxyphenyl)methoxy]benzene is sourced from PubChem (CID 61270022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).