6-pent-1-ynylnaphthalen-2-ol

C15H14O — CID 123520256

IUPAC6-pent-1-ynylnaphthalen-2-ol
SMILESCCCC#Cc1ccc2cc(O)ccc2c1
InChIInChI=1S/C15H14O/c1-2-3-4-5-12-6-7-14-11-15(16)9-8-13(14)10-12/h6-11,16H,2-3H2,1H3
InChIKeyADVRBHXJLNCAAU-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.70
Rot. Bonds1

About 6-pent-1-ynylnaphthalen-2-ol

6-pent-1-ynylnaphthalen-2-ol (PubChem CID 123520256) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 6-pent-1-ynylnaphthalen-2-ol.

Molecular Properties

Compound Name6-pent-1-ynylnaphthalen-2-ol
PubChem CID123520256
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name6-pent-1-ynylnaphthalen-2-ol
SMILESCCCC#Cc1ccc2cc(O)ccc2c1
InChIInChI=1S/C15H14O/c1-2-3-4-5-12-6-7-14-11-15(16)9-8-13(14)10-12/h6-11,16H,2-3H2,1H3
InChIKeyADVRBHXJLNCAAU-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-pent-1-ynylnaphthalen-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

Related Compounds

7-(3-hydroxyprop-1-ynyl)naphthalen-2-ol
CID 169485557
2-hex-1-ynylnaphthalene
CID 15311977
4-(6-methoxynaphthalen-2-yl)but-3-yn-1-ol
CID 54995677
2,6-bis(but-1-ynyl)anthracene
CID 58131971
(3-pent-1-ynylphenyl)methanol
CID 11159609
2-chloro-1-methyl-4-pent-1-ynylbenzene
CID 130055675
2-methyl-5-pent-1-ynyl-2,3-dihydro-1H-indene
CID 158734941
2-(4-chlorobut-1-ynyl)-6-methoxynaphthalene
CID 54995772
1-pent-1-ynyl-3-phenylbenzene
CID 177471629
ethane;6-propylnaphthalen-2-ol
CID 171088500
6-[4-(methylamino)but-1-ynyl]naphthalen-2-amine
CID 170465057
sodium;hydride;naphthalene-2,6-diol
CID 174639769

Frequently Asked Questions

What is the IUPAC name of 6-pent-1-ynylnaphthalen-2-ol?
The IUPAC name of 6-pent-1-ynylnaphthalen-2-ol (CID 123520256) is 6-pent-1-ynylnaphthalen-2-ol.
What is the SMILES notation for 6-pent-1-ynylnaphthalen-2-ol?
The canonical SMILES for 6-pent-1-ynylnaphthalen-2-ol is CCCC#Cc1ccc2cc(O)ccc2c1.
What is the InChIKey of 6-pent-1-ynylnaphthalen-2-ol?
The InChIKey is ADVRBHXJLNCAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-2-3-4-5-12-6-7-14-11-15(16)9-8-13(14)10-12/h6-11,16H,2-3H2,1H3.
What are the key properties of 6-pent-1-ynylnaphthalen-2-ol?
6-pent-1-ynylnaphthalen-2-ol has a molecular weight of 210.28 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pent-1-ynylnaphthalen-2-ol is sourced from PubChem (CID 123520256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).