2-(1-hydroxypropyl)benzaldehyde

C10H12O2 — CID 22057055

IUPAC2-(1-hydroxypropyl)benzaldehyde
SMILESCCC(O)c1ccccc1C=O
InChIInChI=1S/C10H12O2/c1-2-10(12)9-6-4-3-5-8(9)7-11/h3-7,10,12H,2H2,1H3
InChIKeyIQXUPUZRZDHOOQ-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.94
Rot. Bonds3

About 2-(1-hydroxypropyl)benzaldehyde

2-(1-hydroxypropyl)benzaldehyde (PubChem CID 22057055) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-(1-hydroxypropyl)benzaldehyde.

Molecular Properties

Compound Name2-(1-hydroxypropyl)benzaldehyde
PubChem CID22057055
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-(1-hydroxypropyl)benzaldehyde
SMILESCCC(O)c1ccccc1C=O
InChIInChI=1S/C10H12O2/c1-2-10(12)9-6-4-3-5-8(9)7-11/h3-7,10,12H,2H2,1H3
InChIKeyIQXUPUZRZDHOOQ-UHFFFAOYSA-N
XLogP1.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.94
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-hydroxy-3-[(1R)-1-phenylpropyl]benzaldehyde
CID 12066885
(1R)-1-(2-methylphenyl)propan-1-ol
CID 10964682
1-(2-sulfanylphenyl)propan-1-ol
CID 173402717
2-(2,4-dimethylpentan-3-yl)benzaldehyde
CID 21290471
2-(2-formylphenyl)-2-hydroxyacetamide
CID 54502369
2-(dibromomethyl)benzaldehyde
CID 15212101
2-(7-methylnonan-4-yl)benzaldehyde
CID 143620892
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
sodium (2-formylphenyl)-hydroxymethanesulfonate
CID 20781442
N-[2-(1-hydroxypropyl)phenyl]benzamide
CID 5304891
2-(1,2-dimethoxyethyl)benzaldehyde
CID 117275927
3-[(1R)-1-hydroxypropyl]benzene-1,2-diol
CID 11229010

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropyl)benzaldehyde?
The IUPAC name of 2-(1-hydroxypropyl)benzaldehyde (CID 22057055) is 2-(1-hydroxypropyl)benzaldehyde.
What is the SMILES notation for 2-(1-hydroxypropyl)benzaldehyde?
The canonical SMILES for 2-(1-hydroxypropyl)benzaldehyde is CCC(O)c1ccccc1C=O.
What is the InChIKey of 2-(1-hydroxypropyl)benzaldehyde?
The InChIKey is IQXUPUZRZDHOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-10(12)9-6-4-3-5-8(9)7-11/h3-7,10,12H,2H2,1H3.
What are the key properties of 2-(1-hydroxypropyl)benzaldehyde?
2-(1-hydroxypropyl)benzaldehyde has a molecular weight of 164.20 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropyl)benzaldehyde is sourced from PubChem (CID 22057055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).