1-chloro-4-(1-phenylethyl)benzene

C14H13Cl — CID 11063863

IUPAC1-chloro-4-(1-phenylethyl)benzene
SMILESCC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl/c1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13/h2-11H,1H3
InChIKeyOMWUABDOXSZJHX-UHFFFAOYSA-N
MW216.71 g/mol
LogP4.49
Rot. Bonds2

About 1-chloro-4-(1-phenylethyl)benzene

1-chloro-4-(1-phenylethyl)benzene (PubChem CID 11063863) has the molecular formula C14H13Cl and a molecular weight of 216.71 g/mol. Its IUPAC name is 1-chloro-4-(1-phenylethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(1-phenylethyl)benzene
PubChem CID11063863
Molecular FormulaC14H13Cl
Molecular Weight216.71 g/mol
Exact Mass216.07
IUPAC Name1-chloro-4-(1-phenylethyl)benzene
SMILESCC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl/c1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13/h2-11H,1H3
InChIKeyOMWUABDOXSZJHX-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 6294
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CID 3036
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CID 4211
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CID 3035
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CID 7810
CID 7810
CID 36187
CID 36187
CID 38037
CID 38037
CID 13089
CID 13089
CID 246598
CID 246598
CID 249266
CID 249266
CID 16322
CID 16322
CID 27588
CID 27588

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(1-phenylethyl)benzene?
The IUPAC name of 1-chloro-4-(1-phenylethyl)benzene (CID 11063863) is 1-chloro-4-(1-phenylethyl)benzene.
What is the SMILES notation for 1-chloro-4-(1-phenylethyl)benzene?
The canonical SMILES for 1-chloro-4-(1-phenylethyl)benzene is CC(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(1-phenylethyl)benzene?
The InChIKey is OMWUABDOXSZJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl/c1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13/h2-11H,1H3.
What are the key properties of 1-chloro-4-(1-phenylethyl)benzene?
1-chloro-4-(1-phenylethyl)benzene has a molecular weight of 216.71 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(1-phenylethyl)benzene is sourced from PubChem (CID 11063863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).