7-(3-hydroxyprop-1-ynyl)naphthalen-2-ol

C13H10O2 — CID 169485557

IUPAC7-(3-hydroxyprop-1-ynyl)naphthalen-2-ol
SMILESOCC#Cc1ccc2ccc(O)cc2c1
InChIInChI=1S/C13H10O2/c14-7-1-2-10-3-4-11-5-6-13(15)9-12(11)8-10/h3-6,8-9,14-15H,7H2
InChIKeyGMZVDVRNLKGWBY-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.89
Rot. Bonds

About 7-(3-hydroxyprop-1-ynyl)naphthalen-2-ol

7-(3-hydroxyprop-1-ynyl)naphthalen-2-ol (PubChem CID 169485557) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 7-(3-hydroxyprop-1-ynyl)naphthalen-2-ol.

Molecular Properties

Compound Name7-(3-hydroxyprop-1-ynyl)naphthalen-2-ol
PubChem CID169485557
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name7-(3-hydroxyprop-1-ynyl)naphthalen-2-ol
SMILESOCC#Cc1ccc2ccc(O)cc2c1
InChIInChI=1S/C13H10O2/c14-7-1-2-10-3-4-11-5-6-13(15)9-12(11)8-10/h3-6,8-9,14-15H,7H2
InChIKeyGMZVDVRNLKGWBY-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

6-pent-1-ynylnaphthalen-2-ol
CID 123520256
4-(3-hydroxyprop-1-ynyl)benzene-1,2-diol
CID 169484709
3-[6-(difluoromethoxy)naphthalen-2-yl]prop-2-yn-1-ol
CID 54995626
3-(1H-indol-6-yl)prop-2-yn-1-ol
CID 169485137
3-[9-(3-hydroxyprop-1-ynyl)-6,13-bis[2-tri(propan-2-yl)silylethynyl]pentacen-2-yl]prop-2-yn-1-ol
CID 23583296
2-hydroxy-4-(3-hydroxyprop-1-ynyl)benzoic acid
CID 169485255
2,6-bis(but-1-ynyl)anthracene
CID 58131971
2,6-difluoro-4-(3-hydroxyprop-1-ynyl)phenol
CID 169484963
3-[6-(cyclobutylmethoxy)naphthalen-2-yl]prop-2-yn-1-ol
CID 65458406
3-(4-aminophenyl)prop-2-yn-1-ol
CID 23345652
3-(4-fluorophenyl)prop-2-yn-1-ol
CID 2782698
3-[4-(difluoromethyl)phenyl]prop-2-yn-1-ol
CID 169484888

Frequently Asked Questions

What is the IUPAC name of 7-(3-hydroxyprop-1-ynyl)naphthalen-2-ol?
The IUPAC name of 7-(3-hydroxyprop-1-ynyl)naphthalen-2-ol (CID 169485557) is 7-(3-hydroxyprop-1-ynyl)naphthalen-2-ol.
What is the SMILES notation for 7-(3-hydroxyprop-1-ynyl)naphthalen-2-ol?
The canonical SMILES for 7-(3-hydroxyprop-1-ynyl)naphthalen-2-ol is OCC#Cc1ccc2ccc(O)cc2c1.
What is the InChIKey of 7-(3-hydroxyprop-1-ynyl)naphthalen-2-ol?
The InChIKey is GMZVDVRNLKGWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c14-7-1-2-10-3-4-11-5-6-13(15)9-12(11)8-10/h3-6,8-9,14-15H,7H2.
What are the key properties of 7-(3-hydroxyprop-1-ynyl)naphthalen-2-ol?
7-(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 7-(3-hydroxyprop-1-ynyl)naphthalen-2-ol is sourced from PubChem (CID 169485557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).