1-(3-chloro-2-methylcyclopentyl)-3-cyclopropyloxybenzene

C15H19ClO — CID 114523108

IUPAC1-(3-chloro-2-methylcyclopentyl)-3-cyclopropyloxybenzene
SMILESCC1C(Cl)CCC1c1cccc(OC2CC2)c1
InChIInChI=1S/C15H19ClO/c1-10-14(7-8-15(10)16)11-3-2-4-13(9-11)17-12-5-6-12/h2-4,9-10,12,14-15H,5-8H2,1H3
InChIKeyORILOKRWXHXKCI-UHFFFAOYSA-N
MW250.77 g/mol
LogP4.35
Rot. Bonds3

About 1-(3-chloro-2-methylcyclopentyl)-3-cyclopropyloxybenzene

1-(3-chloro-2-methylcyclopentyl)-3-cyclopropyloxybenzene (PubChem CID 114523108) has the molecular formula C15H19ClO and a molecular weight of 250.77 g/mol. Its IUPAC name is 1-(3-chloro-2-methylcyclopentyl)-3-cyclopropyloxybenzene.

Molecular Properties

Compound Name1-(3-chloro-2-methylcyclopentyl)-3-cyclopropyloxybenzene
PubChem CID114523108
Molecular FormulaC15H19ClO
Molecular Weight250.77 g/mol
Exact Mass250.11
IUPAC Name1-(3-chloro-2-methylcyclopentyl)-3-cyclopropyloxybenzene
SMILESCC1C(Cl)CCC1c1cccc(OC2CC2)c1
InChIInChI=1S/C15H19ClO/c1-10-14(7-8-15(10)16)11-3-2-4-13(9-11)17-12-5-6-12/h2-4,9-10,12,14-15H,5-8H2,1H3
InChIKeyORILOKRWXHXKCI-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 54.35
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

3-(3-cyclopropyloxyphenyl)-2-methylcyclopentan-1-one
CID 114522911
4-(3-cyclopropyloxyphenyl)-2-methylpiperidine
CID 114522847
N-[[2-(3-cyclopropyloxyphenyl)cyclohexyl]methyl]cyclopropanamine
CID 114523573
[2-(3-cyclopropyloxyphenyl)cycloheptyl]methanamine
CID 114523516
2-(3-cyclopropyloxyphenyl)-4-propylcyclohexan-1-amine
CID 114523496
1-fluoro-3-(4-methylcyclohexyl)oxybenzene
CID 64764366
1-[2-(3-cyclopropyloxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 114523600
1-(3-chloro-2-methylcyclopentyl)-3-fluoro-5-methylbenzene
CID 79704770
(3-cyclopropyloxyphenyl)methanol
CID 57336629
(3-methylphenoxy)cyclononane
CID 145391482
(3-cyclopropyloxyphenyl)-(3-cyclopropylphenyl)methanol
CID 114520953
3-(3-ethoxyphenyl)-2-methylcyclobutan-1-amine
CID 81415517

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylcyclopentyl)-3-cyclopropyloxybenzene?
The IUPAC name of 1-(3-chloro-2-methylcyclopentyl)-3-cyclopropyloxybenzene (CID 114523108) is 1-(3-chloro-2-methylcyclopentyl)-3-cyclopropyloxybenzene.
What is the SMILES notation for 1-(3-chloro-2-methylcyclopentyl)-3-cyclopropyloxybenzene?
The canonical SMILES for 1-(3-chloro-2-methylcyclopentyl)-3-cyclopropyloxybenzene is CC1C(Cl)CCC1c1cccc(OC2CC2)c1.
What is the InChIKey of 1-(3-chloro-2-methylcyclopentyl)-3-cyclopropyloxybenzene?
The InChIKey is ORILOKRWXHXKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO/c1-10-14(7-8-15(10)16)11-3-2-4-13(9-11)17-12-5-6-12/h2-4,9-10,12,14-15H,5-8H2,1H3.
What are the key properties of 1-(3-chloro-2-methylcyclopentyl)-3-cyclopropyloxybenzene?
1-(3-chloro-2-methylcyclopentyl)-3-cyclopropyloxybenzene has a molecular weight of 250.77 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylcyclopentyl)-3-cyclopropyloxybenzene is sourced from PubChem (CID 114523108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).