3-benzyl-5-chloro-2-hydroxybenzaldehyde

C14H11ClO2 — CID 4769422

IUPAC3-benzyl-5-chloro-2-hydroxybenzaldehyde
SMILESO=Cc1cc(Cl)cc(Cc2ccccc2)c1O
InChIInChI=1S/C14H11ClO2/c15-13-7-11(14(17)12(8-13)9-16)6-10-4-2-1-3-5-10/h1-5,7-9,17H,6H2
InChIKeyYSZZVZQBDRNTFM-UHFFFAOYSA-N
MW246.69 g/mol
LogP3.45
Rot. Bonds3

About 3-benzyl-5-chloro-2-hydroxybenzaldehyde

3-benzyl-5-chloro-2-hydroxybenzaldehyde (PubChem CID 4769422) has the molecular formula C14H11ClO2 and a molecular weight of 246.69 g/mol. Its IUPAC name is 3-benzyl-5-chloro-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name3-benzyl-5-chloro-2-hydroxybenzaldehyde
PubChem CID4769422
Molecular FormulaC14H11ClO2
Molecular Weight246.69 g/mol
Exact Mass246.04
IUPAC Name3-benzyl-5-chloro-2-hydroxybenzaldehyde
SMILESO=Cc1cc(Cl)cc(Cc2ccccc2)c1O
InChIInChI=1S/C14H11ClO2/c15-13-7-11(14(17)12(8-13)9-16)6-10-4-2-1-3-5-10/h1-5,7-9,17H,6H2
InChIKeyYSZZVZQBDRNTFM-UHFFFAOYSA-N
XLogP3.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-5-chlorobenzaldehyde
CID 121230690
3-benzyl-2-hydroxybenzaldehyde
CID 22263534
3-butyl-5-chloro-2-hydroxybenzaldehyde
CID 130306548
5-chloro-2-hydroxy-3-phenylbenzaldehyde
CID 10955442
3-chloro-2-hydroxy-5-(naphthalen-1-ylmethyl)benzaldehyde
CID 960764
3,5-dichloro-2-hydroxybenzaldehyde;palladium(2+)
CID 175867579
2-[[3,5-bis[(2-formylphenyl)methyl]phenyl]methyl]benzaldehyde
CID 11995210
3,8-dibenzyl-6-chloro-4-hydroxychromen-2-one
CID 154229853
5-benzyl-2-hydroxy-3-nitrobenzaldehyde
CID 871077
5-chloro-2-hydroxy-3-(4-oxobut-1-enyl)benzaldehyde
CID 170482087
5-benzyl-2,3,4-trihydroxybenzoic acid
CID 175212254
5-chloro-2-(8-phenyloctoxy)benzene-1,3-dicarbaldehyde
CID 19930257

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-chloro-2-hydroxybenzaldehyde?
The IUPAC name of 3-benzyl-5-chloro-2-hydroxybenzaldehyde (CID 4769422) is 3-benzyl-5-chloro-2-hydroxybenzaldehyde.
What is the SMILES notation for 3-benzyl-5-chloro-2-hydroxybenzaldehyde?
The canonical SMILES for 3-benzyl-5-chloro-2-hydroxybenzaldehyde is O=Cc1cc(Cl)cc(Cc2ccccc2)c1O.
What is the InChIKey of 3-benzyl-5-chloro-2-hydroxybenzaldehyde?
The InChIKey is YSZZVZQBDRNTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2/c15-13-7-11(14(17)12(8-13)9-16)6-10-4-2-1-3-5-10/h1-5,7-9,17H,6H2.
What are the key properties of 3-benzyl-5-chloro-2-hydroxybenzaldehyde?
3-benzyl-5-chloro-2-hydroxybenzaldehyde has a molecular weight of 246.69 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-chloro-2-hydroxybenzaldehyde is sourced from PubChem (CID 4769422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).