1-chloro-3-(3-phenoxypropyl)benzene

C15H15ClO — CID 141357822

IUPAC1-chloro-3-(3-phenoxypropyl)benzene
SMILESClc1cccc(CCCOc2ccccc2)c1
InChIInChI=1S/C15H15ClO/c16-14-8-4-6-13(12-14)7-5-11-17-15-9-2-1-3-10-15/h1-4,6,8-10,12H,5,7,11H2
InChIKeyZZWLQNDAWRRRDI-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.35
Rot. Bonds5

About 1-chloro-3-(3-phenoxypropyl)benzene

1-chloro-3-(3-phenoxypropyl)benzene (PubChem CID 141357822) has the molecular formula C15H15ClO and a molecular weight of 246.74 g/mol. Its IUPAC name is 1-chloro-3-(3-phenoxypropyl)benzene.

Molecular Properties

Compound Name1-chloro-3-(3-phenoxypropyl)benzene
PubChem CID141357822
Molecular FormulaC15H15ClO
Molecular Weight246.74 g/mol
Exact Mass246.08
IUPAC Name1-chloro-3-(3-phenoxypropyl)benzene
SMILESClc1cccc(CCCOc2ccccc2)c1
InChIInChI=1S/C15H15ClO/c16-14-8-4-6-13(12-14)7-5-11-17-15-9-2-1-3-10-15/h1-4,6,8-10,12H,5,7,11H2
InChIKeyZZWLQNDAWRRRDI-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
1-(3-chlorophenyl)-3-[3-(3-phenylpropoxy)phenyl]urea
CID 17133229
N-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide
CID 113098409
1-(3-chlorophenyl)-4-phenoxybutan-2-ol
CID 60798521
N-[3-(3-chlorophenyl)propoxy]methanamine
CID 117126890
1-chloro-3-(2-chloro-3-phenoxypropyl)benzene
CID 14937130
1-chloro-3-(3-fluoropropyl)benzene
CID 54201496
1-chloro-3-[4-(4-methoxyphenyl)butyl]benzene
CID 131860651
1-(3-chlorophenyl)-3-phenoxypropan-2-amine
CID 55103537
N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-phenoxypropanamide
CID 113057079
1-(3-chloropropyl)-3-phenoxybenzene
CID 14030253
2-[3-(4-phenoxybutyl)phenyl]ethyl-triphenylphosphanium
CID 19755692

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(3-phenoxypropyl)benzene?
The IUPAC name of 1-chloro-3-(3-phenoxypropyl)benzene (CID 141357822) is 1-chloro-3-(3-phenoxypropyl)benzene.
What is the SMILES notation for 1-chloro-3-(3-phenoxypropyl)benzene?
The canonical SMILES for 1-chloro-3-(3-phenoxypropyl)benzene is Clc1cccc(CCCOc2ccccc2)c1.
What is the InChIKey of 1-chloro-3-(3-phenoxypropyl)benzene?
The InChIKey is ZZWLQNDAWRRRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO/c16-14-8-4-6-13(12-14)7-5-11-17-15-9-2-1-3-10-15/h1-4,6,8-10,12H,5,7,11H2.
What are the key properties of 1-chloro-3-(3-phenoxypropyl)benzene?
1-chloro-3-(3-phenoxypropyl)benzene has a molecular weight of 246.74 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3-phenoxypropyl)benzene is sourced from PubChem (CID 141357822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).