1-(3-chloropropyl)-3-phenoxybenzene

C15H15ClO — CID 14030253

IUPAC1-(3-chloropropyl)-3-phenoxybenzene
SMILESClCCCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H15ClO/c16-11-5-7-13-6-4-10-15(12-13)17-14-8-2-1-3-9-14/h1-4,6,8-10,12H,5,7,11H2
InChIKeyTVVRDLJSUQVKGY-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.65
Rot. Bonds5

About 1-(3-chloropropyl)-3-phenoxybenzene

1-(3-chloropropyl)-3-phenoxybenzene (PubChem CID 14030253) has the molecular formula C15H15ClO and a molecular weight of 246.74 g/mol. Its IUPAC name is 1-(3-chloropropyl)-3-phenoxybenzene.

Molecular Properties

Compound Name1-(3-chloropropyl)-3-phenoxybenzene
PubChem CID14030253
Molecular FormulaC15H15ClO
Molecular Weight246.74 g/mol
Exact Mass246.08
IUPAC Name1-(3-chloropropyl)-3-phenoxybenzene
SMILESClCCCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H15ClO/c16-11-5-7-13-6-4-10-15(12-13)17-14-8-2-1-3-9-14/h1-4,6,8-10,12H,5,7,11H2
InChIKeyTVVRDLJSUQVKGY-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
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-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
1-(3-iodopropyl)-3-(4-phenoxyphenoxy)benzene
CID 25223171
6-(3-phenoxyphenyl)hexan-1-ol
CID 70473652
5-(3-phenoxyphenyl)pentan-1-amine
CID 175525700
CID 163958367
CID 163958367
1-fluoro-4-[3-(6-phenylhexyl)phenoxy]benzene
CID 58531395
4-[3-(2-chloroethyl)phenoxy]aniline
CID 116996649
1-(4-cyclopropylbutyl)-3-phenoxybenzene
CID 150391471
1-(4-chlorobutyl)-3-methoxybenzene
CID 10774359
N-[3-(3-phenoxyphenyl)propyl]nitrous amide
CID 19736886
1-(5-fluoro-4-methylpentyl)-3-phenoxybenzene
CID 151721910

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropyl)-3-phenoxybenzene?
The IUPAC name of 1-(3-chloropropyl)-3-phenoxybenzene (CID 14030253) is 1-(3-chloropropyl)-3-phenoxybenzene.
What is the SMILES notation for 1-(3-chloropropyl)-3-phenoxybenzene?
The canonical SMILES for 1-(3-chloropropyl)-3-phenoxybenzene is ClCCCc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-(3-chloropropyl)-3-phenoxybenzene?
The InChIKey is TVVRDLJSUQVKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO/c16-11-5-7-13-6-4-10-15(12-13)17-14-8-2-1-3-9-14/h1-4,6,8-10,12H,5,7,11H2.
What are the key properties of 1-(3-chloropropyl)-3-phenoxybenzene?
1-(3-chloropropyl)-3-phenoxybenzene has a molecular weight of 246.74 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)-3-phenoxybenzene is sourced from PubChem (CID 14030253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).