3-(4-hydroxynaphthalen-1-yl)propanal

C13H12O2 — CID 144651527

IUPAC3-(4-hydroxynaphthalen-1-yl)propanal
SMILESO=CCCc1ccc(O)c2ccccc12
InChIInChI=1S/C13H12O2/c14-9-3-4-10-7-8-13(15)12-6-2-1-5-11(10)12/h1-2,5-9,15H,3-4H2
InChIKeyMMUDOJPUECNEJX-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.68
Rot. Bonds3

About 3-(4-hydroxynaphthalen-1-yl)propanal

3-(4-hydroxynaphthalen-1-yl)propanal (PubChem CID 144651527) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-(4-hydroxynaphthalen-1-yl)propanal.

Molecular Properties

Compound Name3-(4-hydroxynaphthalen-1-yl)propanal
PubChem CID144651527
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name3-(4-hydroxynaphthalen-1-yl)propanal
SMILESO=CCCc1ccc(O)c2ccccc12
InChIInChI=1S/C13H12O2/c14-9-3-4-10-7-8-13(15)12-6-2-1-5-11(10)12/h1-2,5-9,15H,3-4H2
InChIKeyMMUDOJPUECNEJX-UHFFFAOYSA-N
XLogP2.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-hydroxynaphthalen-1-yl)propanal 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

3-[4-(2-oxoethyl)naphthalen-1-yl]propanal
CID 20528373
3-[2-(difluoromethoxy)-3-hydroxyphenyl]propanal
CID 134621112
3-(3-fluoro-2,4-dihydroxyphenyl)propanal
CID 117279746
2-[4-(3-hydroxypropyl)naphthalen-1-yl]acetaldehyde
CID 153490793
3-(2-chloro-3-fluoro-4-hydroxyphenyl)propanal
CID 88734115
3-(3-bromo-2-fluoro-4-hydroxyphenyl)propanal
CID 117369384
3-(4-fluoro-2-hydroxyphenyl)propanal
CID 117276586
4-[(fluoroamino)methyl]naphthalen-1-ol
CID 143092514
4-(cyclopropylmethyl)naphthalen-1-ol
CID 70606669
4-[(dimethylamino)methyl]naphthalen-1-ol
CID 131860165
(Z)-5-(4-methylnaphthalen-1-yl)pent-2-enoic acid
CID 176715175
2-[4-(2-hydroxyethyl)naphthalen-1-yl]ethanol
CID 12582392

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxynaphthalen-1-yl)propanal?
The IUPAC name of 3-(4-hydroxynaphthalen-1-yl)propanal (CID 144651527) is 3-(4-hydroxynaphthalen-1-yl)propanal.
What is the SMILES notation for 3-(4-hydroxynaphthalen-1-yl)propanal?
The canonical SMILES for 3-(4-hydroxynaphthalen-1-yl)propanal is O=CCCc1ccc(O)c2ccccc12.
What is the InChIKey of 3-(4-hydroxynaphthalen-1-yl)propanal?
The InChIKey is MMUDOJPUECNEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c14-9-3-4-10-7-8-13(15)12-6-2-1-5-11(10)12/h1-2,5-9,15H,3-4H2.
What are the key properties of 3-(4-hydroxynaphthalen-1-yl)propanal?
3-(4-hydroxynaphthalen-1-yl)propanal has a molecular weight of 200.24 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxynaphthalen-1-yl)propanal is sourced from PubChem (CID 144651527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).