3-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]furan

C15H17ClO2 — CID 83182238

IUPAC3-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]furan
SMILESCOc1ccccc1CC(CCl)Cc1ccoc1
InChIInChI=1S/C15H17ClO2/c1-17-15-5-3-2-4-14(15)9-13(10-16)8-12-6-7-18-11-12/h2-7,11,13H,8-10H2,1H3
InChIKeyPZEOGEXAMHPSQD-UHFFFAOYSA-N
MW264.75 g/mol
LogP3.93
Rot. Bonds6

About 3-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]furan

3-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]furan (PubChem CID 83182238) has the molecular formula C15H17ClO2 and a molecular weight of 264.75 g/mol. Its IUPAC name is 3-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]furan.

Molecular Properties

Compound Name3-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]furan
PubChem CID83182238
Molecular FormulaC15H17ClO2
Molecular Weight264.75 g/mol
Exact Mass264.09
IUPAC Name3-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]furan
SMILESCOc1ccccc1CC(CCl)Cc1ccoc1
InChIInChI=1S/C15H17ClO2/c1-17-15-5-3-2-4-14(15)9-13(10-16)8-12-6-7-18-11-12/h2-7,11,13H,8-10H2,1H3
InChIKeyPZEOGEXAMHPSQD-UHFFFAOYSA-N
XLogP3.93
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(furan-3-ylmethyl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine
CID 83182797
1-(furan-3-yl)-3-(2-methoxyphenyl)propan-2-amine
CID 83174719
1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2-methoxybenzene
CID 66033709
1-[2-(chloromethyl)butyl]-2-methoxybenzene
CID 66035902
1-[2-(chloromethyl)pentyl]-2-methoxybenzene
CID 66034984
1-[2-(chloromethyl)-3-ethoxypropyl]-2-methoxybenzene
CID 103985134
3-[1-bromo-2-(2-methoxyphenyl)ethyl]furan
CID 63018381
3-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]-1-methylpyrazole
CID 82871632
3-[2-(chloromethyl)-3-(4-methylphenyl)propyl]furan
CID 83183227
3-chloro-4-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]pyridine
CID 66048175
4-bromo-2-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]-1-fluorobenzene
CID 66049693
2-(2-benzyl-3-chloropropyl)-4-bromo-1-methoxybenzene
CID 66034057

Frequently Asked Questions

What is the IUPAC name of 3-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]furan?
The IUPAC name of 3-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]furan (CID 83182238) is 3-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]furan.
What is the SMILES notation for 3-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]furan?
The canonical SMILES for 3-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]furan is COc1ccccc1CC(CCl)Cc1ccoc1.
What is the InChIKey of 3-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]furan?
The InChIKey is PZEOGEXAMHPSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO2/c1-17-15-5-3-2-4-14(15)9-13(10-16)8-12-6-7-18-11-12/h2-7,11,13H,8-10H2,1H3.
What are the key properties of 3-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]furan?
3-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]furan has a molecular weight of 264.75 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]furan is sourced from PubChem (CID 83182238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).