4-[chloro(diphenyl)methyl]benzaldehyde

C20H15ClO — CID 175567585

IUPAC4-[chloro(diphenyl)methyl]benzaldehyde
SMILESO=Cc1ccc(C(Cl)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H15ClO/c21-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-13-11-16(15-22)12-14-19/h1-15H
InChIKeyBOCKLLBSDXHVSY-UHFFFAOYSA-N
MW306.79 g/mol
LogP5.03
Rot. Bonds4

About 4-[chloro(diphenyl)methyl]benzaldehyde

4-[chloro(diphenyl)methyl]benzaldehyde (PubChem CID 175567585) has the molecular formula C20H15ClO and a molecular weight of 306.79 g/mol. Its IUPAC name is 4-[chloro(diphenyl)methyl]benzaldehyde.

Molecular Properties

Compound Name4-[chloro(diphenyl)methyl]benzaldehyde
PubChem CID175567585
Molecular FormulaC20H15ClO
Molecular Weight306.79 g/mol
Exact Mass306.08
IUPAC Name4-[chloro(diphenyl)methyl]benzaldehyde
SMILESO=Cc1ccc(C(Cl)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H15ClO/c21-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-13-11-16(15-22)12-14-19/h1-15H
InChIKeyBOCKLLBSDXHVSY-UHFFFAOYSA-N
XLogP5.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.79
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzene;terephthalaldehyde
CID 163498156
[chloro(diphenyl)methyl]benzene;dichloromethane
CID 162037283
benzaldehyde;hydrate
CID 86741597
1-[chloro-bis(4-phenylphenyl)methyl]-4-phenylbenzene
CID 14292466
[4-[chloro(diphenyl)methyl]phenyl]-phenylmethanone
CID 12666774
benzaldehyde;ethane
CID 54495732
benzaldehyde;ethene
CID 22005957
(2R)-2-amino-2-chloro-2-phenylacetaldehyde;hydrochloride
CID 18642349
1-[chloro(diphenyl)methyl]-4-phenoxybenzene
CID 15182049
[4-[chloro(diphenyl)methyl]phenoxy]cyclodecapentaene
CID 138738136
benzaldehyde;methanethiol
CID 142053607
benzaldehyde;formamide
CID 87258384

Frequently Asked Questions

What is the IUPAC name of 4-[chloro(diphenyl)methyl]benzaldehyde?
The IUPAC name of 4-[chloro(diphenyl)methyl]benzaldehyde (CID 175567585) is 4-[chloro(diphenyl)methyl]benzaldehyde.
What is the SMILES notation for 4-[chloro(diphenyl)methyl]benzaldehyde?
The canonical SMILES for 4-[chloro(diphenyl)methyl]benzaldehyde is O=Cc1ccc(C(Cl)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[chloro(diphenyl)methyl]benzaldehyde?
The InChIKey is BOCKLLBSDXHVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClO/c21-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-13-11-16(15-22)12-14-19/h1-15H.
What are the key properties of 4-[chloro(diphenyl)methyl]benzaldehyde?
4-[chloro(diphenyl)methyl]benzaldehyde has a molecular weight of 306.79 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro(diphenyl)methyl]benzaldehyde is sourced from PubChem (CID 175567585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).