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

C15H15ClO — CID 174487660

IUPAC1-chloro-2-(3-phenoxypropyl)benzene
SMILESClc1ccccc1CCCOc1ccccc1
InChIInChI=1S/C15H15ClO/c16-15-11-5-4-7-13(15)8-6-12-17-14-9-2-1-3-10-14/h1-5,7,9-11H,6,8,12H2
InChIKeyMQNGJUVNYICENR-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.35
Rot. Bonds5

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

1-chloro-2-(3-phenoxypropyl)benzene (PubChem CID 174487660) has the molecular formula C15H15ClO and a molecular weight of 246.74 g/mol. Its IUPAC name is 1-chloro-2-(3-phenoxypropyl)benzene.

Molecular Properties

Compound Name1-chloro-2-(3-phenoxypropyl)benzene
PubChem CID174487660
Molecular FormulaC15H15ClO
Molecular Weight246.74 g/mol
Exact Mass246.08
IUPAC Name1-chloro-2-(3-phenoxypropyl)benzene
SMILESClc1ccccc1CCCOc1ccccc1
InChIInChI=1S/C15H15ClO/c16-15-11-5-4-7-13(15)8-6-12-17-14-9-2-1-3-10-14/h1-5,7,9-11H,6,8,12H2
InChIKeyMQNGJUVNYICENR-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

N-[3-(2-chlorophenyl)propyl]-4-(3-phenylpropoxy)aniline
CID 54801149
N-[3-(2-chlorophenyl)propyl]-2-(2-phenoxyethoxy)aniline
CID 54801396
1,2-dichloro-3-(2-phenoxyethyl)benzene
CID 91220321
3-[3-[4-[3-(2-chlorophenyl)propoxy]phenyl]propylamino]propanoic acid
CID 23121519
1-chloro-2-(13-chlorotridecyl)benzene
CID 141077015
3-(2-chlorophenyl)-N-(2-phenoxyethoxy)propanamide
CID 110632928
N-[3-(2-chlorophenyl)propyl]-4-propoxyaniline
CID 54799488
2-(7-phenoxyheptyl)phenol
CID 141346388
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
1-chloro-2-[2-[2-[2-[2-(2-chlorophenyl)ethoxy]ethoxy]ethoxy]ethyl]benzene
CID 142632272
azane;1-butyl-2-chlorobenzene
CID 19011342
1-chloro-2-[3-(4-phenylphenyl)propyl]benzene
CID 173254966

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(3-phenoxypropyl)benzene?
The IUPAC name of 1-chloro-2-(3-phenoxypropyl)benzene (CID 174487660) is 1-chloro-2-(3-phenoxypropyl)benzene.
What is the SMILES notation for 1-chloro-2-(3-phenoxypropyl)benzene?
The canonical SMILES for 1-chloro-2-(3-phenoxypropyl)benzene is Clc1ccccc1CCCOc1ccccc1.
What is the InChIKey of 1-chloro-2-(3-phenoxypropyl)benzene?
The InChIKey is MQNGJUVNYICENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO/c16-15-11-5-4-7-13(15)8-6-12-17-14-9-2-1-3-10-14/h1-5,7,9-11H,6,8,12H2.
What are the key properties of 1-chloro-2-(3-phenoxypropyl)benzene?
1-chloro-2-(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-2-(3-phenoxypropyl)benzene is sourced from PubChem (CID 174487660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).