1-chloro-4-(2-phenylcyclopropyl)benzene

C15H13Cl — CID 5162571

IUPAC1-chloro-4-(2-phenylcyclopropyl)benzene
SMILESClc1ccc(C2CC2c2ccccc2)cc1
InChIInChI=1S/C15H13Cl/c16-13-8-6-12(7-9-13)15-10-14(15)11-4-2-1-3-5-11/h1-9,14-15H,10H2
InChIKeyIMKVLZTWEQYKBR-UHFFFAOYSA-N
MW228.72 g/mol
LogP4.61
Rot. Bonds2

About 1-chloro-4-(2-phenylcyclopropyl)benzene

1-chloro-4-(2-phenylcyclopropyl)benzene (PubChem CID 5162571) has the molecular formula C15H13Cl and a molecular weight of 228.72 g/mol. Its IUPAC name is 1-chloro-4-(2-phenylcyclopropyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(2-phenylcyclopropyl)benzene
PubChem CID5162571
Molecular FormulaC15H13Cl
Molecular Weight228.72 g/mol
Exact Mass228.07
IUPAC Name1-chloro-4-(2-phenylcyclopropyl)benzene
SMILESClc1ccc(C2CC2c2ccccc2)cc1
InChIInChI=1S/C15H13Cl/c16-13-8-6-12(7-9-13)15-10-14(15)11-4-2-1-3-5-11/h1-9,14-15H,10H2
InChIKeyIMKVLZTWEQYKBR-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

P,P'-ddd
CID 6294
1-Chloro-4-(2,2,2-trichloro-1-(4-chlorophenyl)ethyl)benzene
CID 3036
Mitotane
CID 4211
P,P'-dde
CID 3035
Pcb 77
CID 36187
3,3',5-Trichlorobiphenyl
CID 38037
O,P'-Ddt
CID 13089
O,P'-Dde
CID 246598
2-Chlorobiphenyl
CID 249266
3-Chlorobiphenyl
CID 16322
3,3'-Dichlorobiphenyl
CID 16307
4-Chlorobiphenyl
CID 16323

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2-phenylcyclopropyl)benzene?
The IUPAC name of 1-chloro-4-(2-phenylcyclopropyl)benzene (CID 5162571) is 1-chloro-4-(2-phenylcyclopropyl)benzene.
What is the SMILES notation for 1-chloro-4-(2-phenylcyclopropyl)benzene?
The canonical SMILES for 1-chloro-4-(2-phenylcyclopropyl)benzene is Clc1ccc(C2CC2c2ccccc2)cc1.
What is the InChIKey of 1-chloro-4-(2-phenylcyclopropyl)benzene?
The InChIKey is IMKVLZTWEQYKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl/c16-13-8-6-12(7-9-13)15-10-14(15)11-4-2-1-3-5-11/h1-9,14-15H,10H2.
What are the key properties of 1-chloro-4-(2-phenylcyclopropyl)benzene?
1-chloro-4-(2-phenylcyclopropyl)benzene has a molecular weight of 228.72 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2-phenylcyclopropyl)benzene is sourced from PubChem (CID 5162571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).