2-[(1S)-1-hydroxyhexa-2,4-diynyl]phenol

C12H10O2 — CID 163187892

IUPAC2-[(1S)-1-hydroxyhexa-2,4-diynyl]phenol
SMILESCC#CC#C[C@H](O)c1ccccc1O
InChIInChI=1S/C12H10O2/c1-2-3-4-8-11(13)10-7-5-6-9-12(10)14/h5-7,9,11,13-14H,1H3/t11-/m0/s1
InChIKeyATIXAFFLDCRLCX-NSHDSACASA-N
MW186.21 g/mol
LogP1.45
Rot. Bonds1

About 2-[(1S)-1-hydroxyhexa-2,4-diynyl]phenol

2-[(1S)-1-hydroxyhexa-2,4-diynyl]phenol (PubChem CID 163187892) has the molecular formula C12H10O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-[(1S)-1-hydroxyhexa-2,4-diynyl]phenol.

Molecular Properties

Compound Name2-[(1S)-1-hydroxyhexa-2,4-diynyl]phenol
PubChem CID163187892
Molecular FormulaC12H10O2
Molecular Weight186.21 g/mol
Exact Mass186.07
IUPAC Name2-[(1S)-1-hydroxyhexa-2,4-diynyl]phenol
SMILESCC#CC#C[C@H](O)c1ccccc1O
InChIInChI=1S/C12H10O2/c1-2-3-4-8-11(13)10-7-5-6-9-12(10)14/h5-7,9,11,13-14H,1H3/t11-/m0/s1
InChIKeyATIXAFFLDCRLCX-NSHDSACASA-N
XLogP1.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1S)-1-hydroxyhexa-2,4-diynyl]phenol 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

2-hydroxy-2-(2-hydroxyphenyl)acetonitrile
CID 14293611
2-(1-hydroxyhept-2-ynyl)phenol
CID 23727446
(1R)-1-(2-methylphenyl)-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol
CID 102291895
(1S)-1-(2-methylphenyl)-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol
CID 102291896
1-(2-fluorophenyl)-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol
CID 175187393
1-(2-azidophenyl)but-2-yn-1-ol
CID 45257499
1-naphthalen-1-yl-5-phenylpenta-2,4-diyn-1-ol
CID 101184195
1-naphthalen-1-ylundeca-2,4-diyne-1,6-diol
CID 142726642
(1R)-1-[2-[(1R)-1-hydroxy-3-phenylprop-2-ynyl]phenyl]-3-phenylprop-2-yn-1-ol
CID 95988930
2-[(1R,2S)-1-amino-2-hydroxypropyl]phenol
CID 55292695
bis(2-propan-2-ylphenol);zirconium(2+);dichloride
CID 174391119
lithium;hydride;2-propan-2-ylphenol
CID 175276368

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-hydroxyhexa-2,4-diynyl]phenol?
The IUPAC name of 2-[(1S)-1-hydroxyhexa-2,4-diynyl]phenol (CID 163187892) is 2-[(1S)-1-hydroxyhexa-2,4-diynyl]phenol.
What is the SMILES notation for 2-[(1S)-1-hydroxyhexa-2,4-diynyl]phenol?
The canonical SMILES for 2-[(1S)-1-hydroxyhexa-2,4-diynyl]phenol is CC#CC#C[C@H](O)c1ccccc1O.
What is the InChIKey of 2-[(1S)-1-hydroxyhexa-2,4-diynyl]phenol?
The InChIKey is ATIXAFFLDCRLCX-NSHDSACASA-N. The full InChI is InChI=1S/C12H10O2/c1-2-3-4-8-11(13)10-7-5-6-9-12(10)14/h5-7,9,11,13-14H,1H3/t11-/m0/s1.
What are the key properties of 2-[(1S)-1-hydroxyhexa-2,4-diynyl]phenol?
2-[(1S)-1-hydroxyhexa-2,4-diynyl]phenol has a molecular weight of 186.21 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-hydroxyhexa-2,4-diynyl]phenol is sourced from PubChem (CID 163187892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).