4-(chloromethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene

C18H21ClO2 — CID 28973814

IUPAC4-(chloromethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene
SMILESCOc1ccc(CCl)cc1OCc1ccc(C(C)C)cc1
InChIInChI=1S/C18H21ClO2/c1-13(2)16-7-4-14(5-8-16)12-21-18-10-15(11-19)6-9-17(18)20-3/h4-10,13H,11-12H2,1-3H3
InChIKeyZIUFMVFGCJKLBW-UHFFFAOYSA-N
MW304.82 g/mol
LogP5.14
Rot. Bonds6

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

4-(chloromethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene (PubChem CID 28973814) has the molecular formula C18H21ClO2 and a molecular weight of 304.82 g/mol. Its IUPAC name is 4-(chloromethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene.

Molecular Properties

Compound Name4-(chloromethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene
PubChem CID28973814
Molecular FormulaC18H21ClO2
Molecular Weight304.82 g/mol
Exact Mass304.12
IUPAC Name4-(chloromethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene
SMILESCOc1ccc(CCl)cc1OCc1ccc(C(C)C)cc1
InChIInChI=1S/C18H21ClO2/c1-13(2)16-7-4-14(5-8-16)12-21-18-10-15(11-19)6-9-17(18)20-3/h4-10,13H,11-12H2,1-3H3
InChIKeyZIUFMVFGCJKLBW-UHFFFAOYSA-N
XLogP5.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.82
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)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

4-(bromomethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 43324734
[4-methoxy-3-[(4-propan-2-ylphenyl)methoxy]phenyl]methanamine
CID 28973773
2-bromo-4-(chloromethyl)-1-[(4-propan-2-ylphenyl)methoxy]benzene
CID 63536071
1-[(4-fluorophenyl)methoxy]-2-methoxy-4-propan-2-ylbenzene
CID 130325597
(1R)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethanol
CID 78931221
1-chloro-2-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-3-fluorobenzene
CID 61496156
4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene
CID 22456846
(1S)-1-[5-chloro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanol
CID 78944255
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981
2-bromo-1-methoxy-4-[(4-propan-2-ylphenoxy)methyl]benzene
CID 60673925
2-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-3-methylpyridine
CID 112650689
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene?
The IUPAC name of 4-(chloromethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene (CID 28973814) is 4-(chloromethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene.
What is the SMILES notation for 4-(chloromethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene?
The canonical SMILES for 4-(chloromethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene is COc1ccc(CCl)cc1OCc1ccc(C(C)C)cc1.
What is the InChIKey of 4-(chloromethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene?
The InChIKey is ZIUFMVFGCJKLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO2/c1-13(2)16-7-4-14(5-8-16)12-21-18-10-15(11-19)6-9-17(18)20-3/h4-10,13H,11-12H2,1-3H3.
What are the key properties of 4-(chloromethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene?
4-(chloromethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene has a molecular weight of 304.82 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene is sourced from PubChem (CID 28973814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).