1-(3-hydroxypropyl)naphthalen-2-ol

C13H14O2 — CID 593961

IUPAC1-(3-hydroxypropyl)naphthalen-2-ol
SMILESOCCCc1c(O)ccc2ccccc12
InChIInChI=1S/C13H14O2/c14-9-3-6-12-11-5-2-1-4-10(11)7-8-13(12)15/h1-2,4-5,7-8,14-15H,3,6,9H2
InChIKeyOVRMMZLQYVLMSW-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.47
Rot. Bonds3

About 1-(3-hydroxypropyl)naphthalen-2-ol

1-(3-hydroxypropyl)naphthalen-2-ol (PubChem CID 593961) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(3-hydroxypropyl)naphthalen-2-ol
PubChem CID593961
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name1-(3-hydroxypropyl)naphthalen-2-ol
SMILESOCCCc1c(O)ccc2ccccc12
InChIInChI=1S/C13H14O2/c14-9-3-6-12-11-5-2-1-4-10(11)7-8-13(12)15/h1-2,4-5,7-8,14-15H,3,6,9H2
InChIKeyOVRMMZLQYVLMSW-UHFFFAOYSA-N
XLogP2.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-hydroxypropyl)naphthalen-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)naphthalen-2-ol?
The IUPAC name of 1-(3-hydroxypropyl)naphthalen-2-ol (CID 593961) is 1-(3-hydroxypropyl)naphthalen-2-ol.
What is the SMILES notation for 1-(3-hydroxypropyl)naphthalen-2-ol?
The canonical SMILES for 1-(3-hydroxypropyl)naphthalen-2-ol is OCCCc1c(O)ccc2ccccc12.
What is the InChIKey of 1-(3-hydroxypropyl)naphthalen-2-ol?
The InChIKey is OVRMMZLQYVLMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c14-9-3-6-12-11-5-2-1-4-10(11)7-8-13(12)15/h1-2,4-5,7-8,14-15H,3,6,9H2.
What are the key properties of 1-(3-hydroxypropyl)naphthalen-2-ol?
1-(3-hydroxypropyl)naphthalen-2-ol has a molecular weight of 202.25 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)naphthalen-2-ol is sourced from PubChem (CID 593961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).