1-chloro-3-(3-phenylbutyl)benzene

C16H17Cl — CID 173298175

IUPAC1-chloro-3-(3-phenylbutyl)benzene
SMILESCC(CCc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H17Cl/c1-13(15-7-3-2-4-8-15)10-11-14-6-5-9-16(17)12-14/h2-9,12-13H,10-11H2,1H3
InChIKeyGFTIZLPJPCLOEA-UHFFFAOYSA-N
MW244.77 g/mol
LogP5.08
Rot. Bonds4

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

1-chloro-3-(3-phenylbutyl)benzene (PubChem CID 173298175) has the molecular formula C16H17Cl and a molecular weight of 244.77 g/mol. Its IUPAC name is 1-chloro-3-(3-phenylbutyl)benzene.

Molecular Properties

Compound Name1-chloro-3-(3-phenylbutyl)benzene
PubChem CID173298175
Molecular FormulaC16H17Cl
Molecular Weight244.77 g/mol
Exact Mass244.10
IUPAC Name1-chloro-3-(3-phenylbutyl)benzene
SMILESCC(CCc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H17Cl/c1-13(15-7-3-2-4-8-15)10-11-14-6-5-9-16(17)12-14/h2-9,12-13H,10-11H2,1H3
InChIKeyGFTIZLPJPCLOEA-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.77
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3-(3-phenylbutyl)benzene
CID 173297999
1-chloro-4-[(3S)-3-phenylbutyl]benzene
CID 174392124
N-[(3-chlorophenyl)methyl]-3-phenylbutan-1-amine
CID 63477151
4-(3-chlorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 81023908
1-chloro-3-(3-methylpentyl)benzene
CID 57308391
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-phenylbutan-1-amine
CID 81366439
N-[1-(3-chlorophenyl)ethyl]-3-phenylbutan-1-amine
CID 63420298
N-[1-(3-chlorophenyl)propyl]-4-phenylbutan-2-amine
CID 43110456
1-ethyl-4-(3-phenylbutyl)benzene
CID 57279171
1-chloro-3-(7-methyloctyl)benzene
CID 168947295
4-(3-chlorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 64665001
[(2R)-5-phenylpentan-2-yl]benzene
CID 143889057

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(3-phenylbutyl)benzene?
The IUPAC name of 1-chloro-3-(3-phenylbutyl)benzene (CID 173298175) is 1-chloro-3-(3-phenylbutyl)benzene.
What is the SMILES notation for 1-chloro-3-(3-phenylbutyl)benzene?
The canonical SMILES for 1-chloro-3-(3-phenylbutyl)benzene is CC(CCc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 1-chloro-3-(3-phenylbutyl)benzene?
The InChIKey is GFTIZLPJPCLOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl/c1-13(15-7-3-2-4-8-15)10-11-14-6-5-9-16(17)12-14/h2-9,12-13H,10-11H2,1H3.
What are the key properties of 1-chloro-3-(3-phenylbutyl)benzene?
1-chloro-3-(3-phenylbutyl)benzene has a molecular weight of 244.77 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3-phenylbutyl)benzene is sourced from PubChem (CID 173298175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).