1-benzhydryl-4-chlorobenzene

C19H15Cl — CID 13050205

IUPAC1-benzhydryl-4-chlorobenzene
SMILESClc1ccc(C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15Cl/c20-18-13-11-17(12-14-18)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H
InChIKeyBPKFOVGOXFAPRI-UHFFFAOYSA-N
MW278.78 g/mol
LogP5.52
Rot. Bonds3

About 1-benzhydryl-4-chlorobenzene

1-benzhydryl-4-chlorobenzene (PubChem CID 13050205) has the molecular formula C19H15Cl and a molecular weight of 278.78 g/mol. Its IUPAC name is 1-benzhydryl-4-chlorobenzene.

Molecular Properties

Compound Name1-benzhydryl-4-chlorobenzene
PubChem CID13050205
Molecular FormulaC19H15Cl
Molecular Weight278.78 g/mol
Exact Mass278.09
IUPAC Name1-benzhydryl-4-chlorobenzene
SMILESClc1ccc(C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15Cl/c20-18-13-11-17(12-14-18)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H
InChIKeyBPKFOVGOXFAPRI-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.78
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-[(R)-bromo(phenyl)methyl]-4-chlorobenzene
CID 96642290
1-[(S)-bromo(phenyl)methyl]-4-chlorobenzene
CID 96642289
lithium benzhydrylbenzene
CID 18381038
azane;benzhydrylbenzene
CID 70581647
1-chloro-4-(2-methyl-1-phenylpropyl)benzene
CID 22890486
(2R)-2-(4-chlorophenyl)-2-phenylacetic acid
CID 7009399
[(4-chlorophenyl)-phenylmethyl]-methanidylazanium
CID 58816619
1-iodo-4-[(4-iodophenyl)-phenylmethyl]benzene
CID 138659961
1,4-bis(4-benzhydrylphenyl)benzene;ethane
CID 159665111
1-bromo-4-[(4-bromophenyl)-phenylmethyl]benzene
CID 5083697
2-[[(4-chlorophenyl)-phenylmethyl]amino]propane-1,3-diol
CID 86784049
benzene;chlorobenzene
CID 159657667

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-chlorobenzene?
The IUPAC name of 1-benzhydryl-4-chlorobenzene (CID 13050205) is 1-benzhydryl-4-chlorobenzene.
What is the SMILES notation for 1-benzhydryl-4-chlorobenzene?
The canonical SMILES for 1-benzhydryl-4-chlorobenzene is Clc1ccc(C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-benzhydryl-4-chlorobenzene?
The InChIKey is BPKFOVGOXFAPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl/c20-18-13-11-17(12-14-18)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H.
What are the key properties of 1-benzhydryl-4-chlorobenzene?
1-benzhydryl-4-chlorobenzene has a molecular weight of 278.78 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-chlorobenzene is sourced from PubChem (CID 13050205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).