4-(5-hydroxynonan-5-yl)benzaldehyde

C16H24O2 — CID 100961929

IUPAC4-(5-hydroxynonan-5-yl)benzaldehyde
SMILESCCCCC(O)(CCCC)c1ccc(C=O)cc1
InChIInChI=1S/C16H24O2/c1-3-5-11-16(18,12-6-4-2)15-9-7-14(13-17)8-10-15/h7-10,13,18H,3-6,11-12H2,1-2H3
InChIKeyFHNYRQBGXBJGHT-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.07
Rot. Bonds8

About 4-(5-hydroxynonan-5-yl)benzaldehyde

4-(5-hydroxynonan-5-yl)benzaldehyde (PubChem CID 100961929) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(5-hydroxynonan-5-yl)benzaldehyde.

Molecular Properties

Compound Name4-(5-hydroxynonan-5-yl)benzaldehyde
PubChem CID100961929
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name4-(5-hydroxynonan-5-yl)benzaldehyde
SMILESCCCCC(O)(CCCC)c1ccc(C=O)cc1
InChIInChI=1S/C16H24O2/c1-3-5-11-16(18,12-6-4-2)15-9-7-14(13-17)8-10-15/h7-10,13,18H,3-6,11-12H2,1-2H3
InChIKeyFHNYRQBGXBJGHT-UHFFFAOYSA-N
XLogP4.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(5-hydroxynonan-5-yl)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

P-Toluic Acid
CID 7470
4-tert-Butylbenzoic acid
CID 7403
4-Isopropylbenzoic Acid
CID 10820
4-Formylbenzoic acid
CID 12088
(1,1'-Biphenyl)-4-carboxylic acid
CID 66724
4-Ethylbenzoic Acid
CID 12086
3,4-Dimethylbenzoic acid
CID 12073
4-(Hydroxymethyl)benzoic acid
CID 76360
4-Isobutylbenzoic acid
CID 38111
p-Octylbenzoic acid
CID 19147
4-Pentylbenzoic acid
CID 33479
AC55649
CID 1714884

Frequently Asked Questions

What is the IUPAC name of 4-(5-hydroxynonan-5-yl)benzaldehyde?
The IUPAC name of 4-(5-hydroxynonan-5-yl)benzaldehyde (CID 100961929) is 4-(5-hydroxynonan-5-yl)benzaldehyde.
What is the SMILES notation for 4-(5-hydroxynonan-5-yl)benzaldehyde?
The canonical SMILES for 4-(5-hydroxynonan-5-yl)benzaldehyde is CCCCC(O)(CCCC)c1ccc(C=O)cc1.
What is the InChIKey of 4-(5-hydroxynonan-5-yl)benzaldehyde?
The InChIKey is FHNYRQBGXBJGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-3-5-11-16(18,12-6-4-2)15-9-7-14(13-17)8-10-15/h7-10,13,18H,3-6,11-12H2,1-2H3.
What are the key properties of 4-(5-hydroxynonan-5-yl)benzaldehyde?
4-(5-hydroxynonan-5-yl)benzaldehyde has a molecular weight of 248.37 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxynonan-5-yl)benzaldehyde is sourced from PubChem (CID 100961929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).