1-chloro-4-(1,2-diphenylcyclopropyl)benzene

C21H17Cl — CID 166440166

IUPAC1-chloro-4-(1,2-diphenylcyclopropyl)benzene
SMILESClc1ccc(C2(c3ccccc3)CC2c2ccccc2)cc1
InChIInChI=1S/C21H17Cl/c22-19-13-11-18(12-14-19)21(17-9-5-2-6-10-17)15-20(21)16-7-3-1-4-8-16/h1-14,20H,15H2
InChIKeyFAUPMASIVJTNPI-UHFFFAOYSA-N
MW304.82 g/mol
LogP5.81
Rot. Bonds3

About 1-chloro-4-(1,2-diphenylcyclopropyl)benzene

1-chloro-4-(1,2-diphenylcyclopropyl)benzene (PubChem CID 166440166) has the molecular formula C21H17Cl and a molecular weight of 304.82 g/mol. Its IUPAC name is 1-chloro-4-(1,2-diphenylcyclopropyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(1,2-diphenylcyclopropyl)benzene
PubChem CID166440166
Molecular FormulaC21H17Cl
Molecular Weight304.82 g/mol
Exact Mass304.10
IUPAC Name1-chloro-4-(1,2-diphenylcyclopropyl)benzene
SMILESClc1ccc(C2(c3ccccc3)CC2c2ccccc2)cc1
InChIInChI=1S/C21H17Cl/c22-19-13-11-18(12-14-19)21(17-9-5-2-6-10-17)15-20(21)16-7-3-1-4-8-16/h1-14,20H,15H2
InChIKeyFAUPMASIVJTNPI-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.82
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[(1R)-2,2-diphenylcyclopropyl]pyridine
CID 7103626
1-(2,2-diphenylcyclopropyl)-4-(trifluoromethyl)benzene
CID 11473198
2-phenylspiro[2.4]heptane-4,7-dione
CID 132603438
1-(4-chlorophenyl)-4-phenylcyclohexan-1-amine
CID 63407795
1-chloro-4-(2-phenylcyclopropyl)benzene
CID 5162571
cis-(1R,2R)-1,2-diphenylcyclopropan-1-ol
CID 165358316
1-(2,2-diphenylcyclobutyl)-4-methylbenzene
CID 175322057
1-[(4-chlorobenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid
CID 84559124
(1,2,2-trimethyl-3-phenylcyclobutyl)benzene
CID 175871621
benzene;chlorobenzene
CID 159657667
(1,2-diphenylcyclopropyl)methanamine
CID 12684736
[(1S,2R)-2-phenyl-1-(trifluoromethyl)cyclopropyl]benzene
CID 132581964

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(1,2-diphenylcyclopropyl)benzene?
The IUPAC name of 1-chloro-4-(1,2-diphenylcyclopropyl)benzene (CID 166440166) is 1-chloro-4-(1,2-diphenylcyclopropyl)benzene.
What is the SMILES notation for 1-chloro-4-(1,2-diphenylcyclopropyl)benzene?
The canonical SMILES for 1-chloro-4-(1,2-diphenylcyclopropyl)benzene is Clc1ccc(C2(c3ccccc3)CC2c2ccccc2)cc1.
What is the InChIKey of 1-chloro-4-(1,2-diphenylcyclopropyl)benzene?
The InChIKey is FAUPMASIVJTNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl/c22-19-13-11-18(12-14-19)21(17-9-5-2-6-10-17)15-20(21)16-7-3-1-4-8-16/h1-14,20H,15H2.
What are the key properties of 1-chloro-4-(1,2-diphenylcyclopropyl)benzene?
1-chloro-4-(1,2-diphenylcyclopropyl)benzene has a molecular weight of 304.82 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(1,2-diphenylcyclopropyl)benzene is sourced from PubChem (CID 166440166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).