1-(3-hydroxyprop-1-ynyl)naphthalen-2-ol

C13H10O2 — CID 169485554

IUPAC1-(3-hydroxyprop-1-ynyl)naphthalen-2-ol
SMILESOCC#Cc1c(O)ccc2ccccc12
InChIInChI=1S/C13H10O2/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,9H2
InChIKeyOVDKPZQIHJOUDS-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.89
Rot. Bonds

About 1-(3-hydroxyprop-1-ynyl)naphthalen-2-ol

1-(3-hydroxyprop-1-ynyl)naphthalen-2-ol (PubChem CID 169485554) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-(3-hydroxyprop-1-ynyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(3-hydroxyprop-1-ynyl)naphthalen-2-ol
PubChem CID169485554
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name1-(3-hydroxyprop-1-ynyl)naphthalen-2-ol
SMILESOCC#Cc1c(O)ccc2ccccc12
InChIInChI=1S/C13H10O2/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,9H2
InChIKeyOVDKPZQIHJOUDS-UHFFFAOYSA-N
XLogP1.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-sulfanylprop-1-ynyl)naphthalen-2-ol
CID 169487263
3-[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]prop-2-yn-1-ol
CID 61028637
3-[2-(2-methylpropoxy)naphthalen-1-yl]prop-2-yn-1-ol
CID 61029183
3-[2-(3-fluoropropoxy)naphthalen-1-yl]prop-2-yn-1-ol
CID 81114610
3-(2-hexoxynaphthalen-1-yl)prop-2-yn-1-ol
CID 61029540
3-[2-(2-methylbutoxy)naphthalen-1-yl]prop-2-yn-1-ol
CID 62105890
3-[2-(oxan-4-yloxy)naphthalen-1-yl]prop-2-yn-1-ol
CID 63937091
1-[2-[2-(1-benzothiophen-2-yl)phenyl]ethynyl]naphthalen-2-ol
CID 122363300
1-iodonaphthalen-2-ol
CID 16250
1-fluoronaphthalen-2-ol
CID 11094948
naphthalene-1,2-diol;naphthalene-1,4-diol
CID 157322625
1-(2-hydroxyethyl)naphthalen-2-ol
CID 19602212

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyprop-1-ynyl)naphthalen-2-ol?
The IUPAC name of 1-(3-hydroxyprop-1-ynyl)naphthalen-2-ol (CID 169485554) is 1-(3-hydroxyprop-1-ynyl)naphthalen-2-ol.
What is the SMILES notation for 1-(3-hydroxyprop-1-ynyl)naphthalen-2-ol?
The canonical SMILES for 1-(3-hydroxyprop-1-ynyl)naphthalen-2-ol is OCC#Cc1c(O)ccc2ccccc12.
What is the InChIKey of 1-(3-hydroxyprop-1-ynyl)naphthalen-2-ol?
The InChIKey is OVDKPZQIHJOUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/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,9H2.
What are the key properties of 1-(3-hydroxyprop-1-ynyl)naphthalen-2-ol?
1-(3-hydroxyprop-1-ynyl)naphthalen-2-ol has a molecular weight of 198.22 g/mol, XLogP of 1.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyprop-1-ynyl)naphthalen-2-ol is sourced from PubChem (CID 169485554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).