(3,3-dichloro-5-phenylpentyl)benzene

C17H18Cl2 — CID 11033683

IUPAC(3,3-dichloro-5-phenylpentyl)benzene
SMILESClC(Cl)(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C17H18Cl2/c18-17(19,13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyZYDOEOHFIRMNAG-UHFFFAOYSA-N
MW293.24 g/mol
LogP5.43
Rot. Bonds6

About (3,3-dichloro-5-phenylpentyl)benzene

(3,3-dichloro-5-phenylpentyl)benzene (PubChem CID 11033683) has the molecular formula C17H18Cl2 and a molecular weight of 293.24 g/mol. Its IUPAC name is (3,3-dichloro-5-phenylpentyl)benzene.

Molecular Properties

Compound Name(3,3-dichloro-5-phenylpentyl)benzene
PubChem CID11033683
Molecular FormulaC17H18Cl2
Molecular Weight293.24 g/mol
Exact Mass292.08
IUPAC Name(3,3-dichloro-5-phenylpentyl)benzene
SMILESClC(Cl)(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C17H18Cl2/c18-17(19,13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyZYDOEOHFIRMNAG-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.24
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(6-chloro-3,3,4,4,5,5,6,6-octafluorohexyl)benzene
CID 15485608
benzene;2-phenylethylbenzene
CID 18982764
1-(2-phenylethyl)-4-(3,3,3-trifluoropropyl)benzene
CID 12783381
1,1-diamino-3-phenylpropane-1-thiol
CID 139890892
hafnium;2-phenylethylbenzene
CID 173109801
2,2-dimethyl-4-phenylbutanoyl chloride
CID 121009879
[5-(3,3-dimethyl-5-phenylpentoxy)-3,3-dimethylpentyl]benzene
CID 174996327
sulfuryl dichloride;3,3,3-trifluoropropylbenzene
CID 174656156
2-(2-phenylethyl)propane-1,2,3-triol
CID 67654093
trichloro(2-phenylethyl)germane
CID 13419320
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
4-phenylbutylbenzene
CID 141301927

Frequently Asked Questions

What is the IUPAC name of (3,3-dichloro-5-phenylpentyl)benzene?
The IUPAC name of (3,3-dichloro-5-phenylpentyl)benzene (CID 11033683) is (3,3-dichloro-5-phenylpentyl)benzene.
What is the SMILES notation for (3,3-dichloro-5-phenylpentyl)benzene?
The canonical SMILES for (3,3-dichloro-5-phenylpentyl)benzene is ClC(Cl)(CCc1ccccc1)CCc1ccccc1.
What is the InChIKey of (3,3-dichloro-5-phenylpentyl)benzene?
The InChIKey is ZYDOEOHFIRMNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2/c18-17(19,13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-10H,11-14H2.
What are the key properties of (3,3-dichloro-5-phenylpentyl)benzene?
(3,3-dichloro-5-phenylpentyl)benzene has a molecular weight of 293.24 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dichloro-5-phenylpentyl)benzene is sourced from PubChem (CID 11033683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).