3-benzyl-2-hydroxybenzaldehyde

C14H12O2 — CID 22263534

IUPAC3-benzyl-2-hydroxybenzaldehyde
SMILESO=Cc1cccc(Cc2ccccc2)c1O
InChIInChI=1S/C14H12O2/c15-10-13-8-4-7-12(14(13)16)9-11-5-2-1-3-6-11/h1-8,10,16H,9H2
InChIKeyKPRWCZKBOOSXCP-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.80
Rot. Bonds3

About 3-benzyl-2-hydroxybenzaldehyde

3-benzyl-2-hydroxybenzaldehyde (PubChem CID 22263534) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-benzyl-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name3-benzyl-2-hydroxybenzaldehyde
PubChem CID22263534
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name3-benzyl-2-hydroxybenzaldehyde
SMILESO=Cc1cccc(Cc2ccccc2)c1O
InChIInChI=1S/C14H12O2/c15-10-13-8-4-7-12(14(13)16)9-11-5-2-1-3-6-11/h1-8,10,16H,9H2
InChIKeyKPRWCZKBOOSXCP-UHFFFAOYSA-N
XLogP2.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.80
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-[[3,5-bis[(2-formylphenyl)methyl]phenyl]methyl]benzaldehyde
CID 11995210
3-benzyl-5-chloro-2-hydroxybenzaldehyde
CID 4769422
2-[2-(3-benzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]benzaldehyde
CID 88987570
2,3-dihydroxybenzaldehyde
CID 159243971
2-hydroxy-3-methylbenzaldehyde;3-methyl-2-phenylmethoxybenzaldehyde
CID 158370416
CID 173140007
CID 173140007
(E)-3-(2-benzylphenyl)prop-2-enoic acid
CID 22364524
2-benzylphenol;ethane
CID 91068983
lithium;2-benzylphenol;hydride
CID 174706000
2-[(3-hydroxy-4-methylphenyl)methyl]benzaldehyde
CID 143183136
2-(2,2-dihydroxyethyl)benzaldehyde
CID 165000650
2-hydroxy-3-[(1R)-1-phenylpropyl]benzaldehyde
CID 12066885

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-hydroxybenzaldehyde?
The IUPAC name of 3-benzyl-2-hydroxybenzaldehyde (CID 22263534) is 3-benzyl-2-hydroxybenzaldehyde.
What is the SMILES notation for 3-benzyl-2-hydroxybenzaldehyde?
The canonical SMILES for 3-benzyl-2-hydroxybenzaldehyde is O=Cc1cccc(Cc2ccccc2)c1O.
What is the InChIKey of 3-benzyl-2-hydroxybenzaldehyde?
The InChIKey is KPRWCZKBOOSXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c15-10-13-8-4-7-12(14(13)16)9-11-5-2-1-3-6-11/h1-8,10,16H,9H2.
What are the key properties of 3-benzyl-2-hydroxybenzaldehyde?
3-benzyl-2-hydroxybenzaldehyde has a molecular weight of 212.25 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-hydroxybenzaldehyde is sourced from PubChem (CID 22263534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).