1-(3-chloro-4-methylpentyl)-3-cyclopropyloxybenzene

C15H21ClO — CID 114523075

IUPAC1-(3-chloro-4-methylpentyl)-3-cyclopropyloxybenzene
SMILESCC(C)C(Cl)CCc1cccc(OC2CC2)c1
InChIInChI=1S/C15H21ClO/c1-11(2)15(16)9-6-12-4-3-5-14(10-12)17-13-7-8-13/h3-5,10-11,13,15H,6-9H2,1-2H3
InChIKeyFGADUBVDMCVVNR-UHFFFAOYSA-N
MW252.78 g/mol
LogP4.42
Rot. Bonds6

About 1-(3-chloro-4-methylpentyl)-3-cyclopropyloxybenzene

1-(3-chloro-4-methylpentyl)-3-cyclopropyloxybenzene (PubChem CID 114523075) has the molecular formula C15H21ClO and a molecular weight of 252.78 g/mol. Its IUPAC name is 1-(3-chloro-4-methylpentyl)-3-cyclopropyloxybenzene.

Molecular Properties

Compound Name1-(3-chloro-4-methylpentyl)-3-cyclopropyloxybenzene
PubChem CID114523075
Molecular FormulaC15H21ClO
Molecular Weight252.78 g/mol
Exact Mass252.13
IUPAC Name1-(3-chloro-4-methylpentyl)-3-cyclopropyloxybenzene
SMILESCC(C)C(Cl)CCc1cccc(OC2CC2)c1
InChIInChI=1S/C15H21ClO/c1-11(2)15(16)9-6-12-4-3-5-14(10-12)17-13-7-8-13/h3-5,10-11,13,15H,6-9H2,1-2H3
InChIKeyFGADUBVDMCVVNR-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.78
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(3-cyclopropyloxyphenyl)butan-2-amine
CID 114522923
1-(3-bromo-4,4-dimethylpentyl)-3-cyclopropyloxybenzene
CID 114523093
3-(3-cyclopropyloxyphenyl)-N-methyl-1-phenylpropan-1-amine
CID 114522988
3-(3-cyclopropyloxyphenyl)-2-methylpropan-1-amine
CID 114522991
2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155896532
(3-cyclopropyloxyphenyl)methanol
CID 57336629
1-(3-cyclopentyloxyphenyl)propan-2-amine;hydrochloride
CID 54592852
1-(3-cyclopropyloxyphenyl)-3-phenylpropan-1-amine
CID 114521595
3-(3-cyclobutyloxyphenyl)propan-1-ol
CID 117294966
3-(3-cyclobutyloxyphenyl)propan-1-amine
CID 117294096
1-cyclopropyl-3-(3-cyclopropyloxyphenyl)propan-1-one
CID 114522899
(3-ethylphenoxy)cyclooctane
CID 91220327

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylpentyl)-3-cyclopropyloxybenzene?
The IUPAC name of 1-(3-chloro-4-methylpentyl)-3-cyclopropyloxybenzene (CID 114523075) is 1-(3-chloro-4-methylpentyl)-3-cyclopropyloxybenzene.
What is the SMILES notation for 1-(3-chloro-4-methylpentyl)-3-cyclopropyloxybenzene?
The canonical SMILES for 1-(3-chloro-4-methylpentyl)-3-cyclopropyloxybenzene is CC(C)C(Cl)CCc1cccc(OC2CC2)c1.
What is the InChIKey of 1-(3-chloro-4-methylpentyl)-3-cyclopropyloxybenzene?
The InChIKey is FGADUBVDMCVVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO/c1-11(2)15(16)9-6-12-4-3-5-14(10-12)17-13-7-8-13/h3-5,10-11,13,15H,6-9H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylpentyl)-3-cyclopropyloxybenzene?
1-(3-chloro-4-methylpentyl)-3-cyclopropyloxybenzene has a molecular weight of 252.78 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylpentyl)-3-cyclopropyloxybenzene is sourced from PubChem (CID 114523075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).