1-chloro-3-(2-chloro-3-phenoxypropyl)benzene

C15H14Cl2O — CID 14937130

IUPAC1-chloro-3-(2-chloro-3-phenoxypropyl)benzene
SMILESClc1cccc(CC(Cl)COc2ccccc2)c1
InChIInChI=1S/C15H14Cl2O/c16-13-6-4-5-12(9-13)10-14(17)11-18-15-7-2-1-3-8-15/h1-9,14H,10-11H2
InChIKeyJIEPGUXKAZNTAE-UHFFFAOYSA-N
MW281.18 g/mol
LogP4.57
Rot. Bonds5

About 1-chloro-3-(2-chloro-3-phenoxypropyl)benzene

1-chloro-3-(2-chloro-3-phenoxypropyl)benzene (PubChem CID 14937130) has the molecular formula C15H14Cl2O and a molecular weight of 281.18 g/mol. Its IUPAC name is 1-chloro-3-(2-chloro-3-phenoxypropyl)benzene.

Molecular Properties

Compound Name1-chloro-3-(2-chloro-3-phenoxypropyl)benzene
PubChem CID14937130
Molecular FormulaC15H14Cl2O
Molecular Weight281.18 g/mol
Exact Mass280.04
IUPAC Name1-chloro-3-(2-chloro-3-phenoxypropyl)benzene
SMILESClc1cccc(CC(Cl)COc2ccccc2)c1
InChIInChI=1S/C15H14Cl2O/c16-13-6-4-5-12(9-13)10-14(17)11-18-15-7-2-1-3-8-15/h1-9,14H,10-11H2
InChIKeyJIEPGUXKAZNTAE-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 54.57
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

1-(3-chlorophenyl)-3-phenoxypropan-2-amine
CID 55103537
1-(3-chlorophenyl)-4-phenoxybutan-2-ol
CID 60798521
1-chloro-3-(3-phenoxypropyl)benzene
CID 141357822
1-(3-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
CID 105084372
1-chloro-3-(2-chloro-2-phenylethyl)benzene
CID 4737542
2-(3-chlorophenyl)-3-phenoxypropan-1-amine
CID 117242977
1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
2-chloro-3-(3-chlorophenyl)propanoic acid
CID 10867759
1-chloro-3-(2-chloroheptyl)benzene
CID 63544270
1-(3-chlorophenoxy)-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 105088402
2-[(3-chlorophenyl)methyl]-3-phenylmethoxypropan-1-amine
CID 102940409
3-(3-chlorophenoxy)propane-1,2-diamine
CID 70391291

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-chloro-3-phenoxypropyl)benzene?
The IUPAC name of 1-chloro-3-(2-chloro-3-phenoxypropyl)benzene (CID 14937130) is 1-chloro-3-(2-chloro-3-phenoxypropyl)benzene.
What is the SMILES notation for 1-chloro-3-(2-chloro-3-phenoxypropyl)benzene?
The canonical SMILES for 1-chloro-3-(2-chloro-3-phenoxypropyl)benzene is Clc1cccc(CC(Cl)COc2ccccc2)c1.
What is the InChIKey of 1-chloro-3-(2-chloro-3-phenoxypropyl)benzene?
The InChIKey is JIEPGUXKAZNTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O/c16-13-6-4-5-12(9-13)10-14(17)11-18-15-7-2-1-3-8-15/h1-9,14H,10-11H2.
What are the key properties of 1-chloro-3-(2-chloro-3-phenoxypropyl)benzene?
1-chloro-3-(2-chloro-3-phenoxypropyl)benzene has a molecular weight of 281.18 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-chloro-3-phenoxypropyl)benzene is sourced from PubChem (CID 14937130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).