1-(chloromethyl)-4-(3-methoxypropoxy)benzene

C11H15ClO2 — CID 60925978

IUPAC1-(chloromethyl)-4-(3-methoxypropoxy)benzene
SMILESCOCCCOc1ccc(CCl)cc1
InChIInChI=1S/C11H15ClO2/c1-13-7-2-8-14-11-5-3-10(9-12)4-6-11/h3-6H,2,7-9H2,1H3
InChIKeyQSKKPYKFJYWNQF-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.84
Rot. Bonds6

About 1-(chloromethyl)-4-(3-methoxypropoxy)benzene

1-(chloromethyl)-4-(3-methoxypropoxy)benzene (PubChem CID 60925978) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 1-(chloromethyl)-4-(3-methoxypropoxy)benzene.

Molecular Properties

Compound Name1-(chloromethyl)-4-(3-methoxypropoxy)benzene
PubChem CID60925978
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name1-(chloromethyl)-4-(3-methoxypropoxy)benzene
SMILESCOCCCOc1ccc(CCl)cc1
InChIInChI=1S/C11H15ClO2/c1-13-7-2-8-14-11-5-3-10(9-12)4-6-11/h3-6H,2,7-9H2,1H3
InChIKeyQSKKPYKFJYWNQF-UHFFFAOYSA-N
XLogP2.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(chloromethyl)-4-octadecoxybenzene
CID 11463563
1-butoxy-4-[4-(chloromethyl)phenyl]benzene
CID 71424313
1-(chloromethyl)-4-(4-phenoxybutoxy)benzene
CID 23206644
ethane;1-methoxy-4-(3-methoxypropoxy)benzene
CID 143283206
1-(bromomethyl)-4-(4-methoxybutoxy)benzene
CID 102137908
1-(2-butoxyethoxy)-4-(chloromethyl)benzene
CID 29003978
1-(chloromethyl)-4-(3-ethylsulfonylpropoxy)benzene
CID 65098386
2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55146437
1-(chloromethyl)-4-(4-decoxyphenyl)benzene
CID 14794612
2-(chloromethyl)-5-(3-methoxypropoxy)pyridine
CID 79799760
ethane;4-(3-methoxypropoxy)phenol
CID 143283309
2-[4-(3-methoxypropoxy)phenyl]ethanethioamide
CID 60926331

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-(3-methoxypropoxy)benzene?
The IUPAC name of 1-(chloromethyl)-4-(3-methoxypropoxy)benzene (CID 60925978) is 1-(chloromethyl)-4-(3-methoxypropoxy)benzene.
What is the SMILES notation for 1-(chloromethyl)-4-(3-methoxypropoxy)benzene?
The canonical SMILES for 1-(chloromethyl)-4-(3-methoxypropoxy)benzene is COCCCOc1ccc(CCl)cc1.
What is the InChIKey of 1-(chloromethyl)-4-(3-methoxypropoxy)benzene?
The InChIKey is QSKKPYKFJYWNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-13-7-2-8-14-11-5-3-10(9-12)4-6-11/h3-6H,2,7-9H2,1H3.
What are the key properties of 1-(chloromethyl)-4-(3-methoxypropoxy)benzene?
1-(chloromethyl)-4-(3-methoxypropoxy)benzene has a molecular weight of 214.69 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-(3-methoxypropoxy)benzene is sourced from PubChem (CID 60925978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).