2-(1-hydroxyhept-2-ynyl)phenol

C13H16O2 — CID 23727446

IUPAC2-(1-hydroxyhept-2-ynyl)phenol
SMILESCCCCC#CC(O)c1ccccc1O
InChIInChI=1S/C13H16O2/c1-2-3-4-5-9-12(14)11-8-6-7-10-13(11)15/h6-8,10,12,14-15H,2-4H2,1H3
InChIKeyOAIMFXBXJFKRPJ-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.62
Rot. Bonds3

About 2-(1-hydroxyhept-2-ynyl)phenol

2-(1-hydroxyhept-2-ynyl)phenol (PubChem CID 23727446) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(1-hydroxyhept-2-ynyl)phenol.

Molecular Properties

Compound Name2-(1-hydroxyhept-2-ynyl)phenol
PubChem CID23727446
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-(1-hydroxyhept-2-ynyl)phenol
SMILESCCCCC#CC(O)c1ccccc1O
InChIInChI=1S/C13H16O2/c1-2-3-4-5-9-12(14)11-8-6-7-10-13(11)15/h6-8,10,12,14-15H,2-4H2,1H3
InChIKeyOAIMFXBXJFKRPJ-UHFFFAOYSA-N
XLogP2.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(4-methoxyphenyl)hept-2-yn-1-ol
CID 101224445
2-[(1S)-1-hydroxyhexa-2,4-diynyl]phenol
CID 163187892
2-pentadecan-6-ylphenol
CID 66865451
[2-[1-[1-(2-acetyloxyphenyl)hept-2-ynylsulfanyl]hept-2-ynyl]phenyl] acetate
CID 68810923
methyl (3S)-3-(2-methoxyphenyl)-2,2-dimethylnon-4-ynoate
CID 100946422
2-(1-isocyanatopentyl)phenol
CID 155127952
methyl [(1S)-1-phenylhept-2-ynyl] carbonate
CID 102499656
2-hydroxy-2-(2-hydroxyphenyl)acetonitrile
CID 14293611
formaldehyde;2-tridecan-5-ylphenol
CID 130205554
2-(1-phenylpentyl)phenol
CID 19601156
1-(2-ethynylphenyl)hept-2-ynyl acetate
CID 135077235
2-(1-hydrazinylheptyl)phenol
CID 155127911

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyhept-2-ynyl)phenol?
The IUPAC name of 2-(1-hydroxyhept-2-ynyl)phenol (CID 23727446) is 2-(1-hydroxyhept-2-ynyl)phenol.
What is the SMILES notation for 2-(1-hydroxyhept-2-ynyl)phenol?
The canonical SMILES for 2-(1-hydroxyhept-2-ynyl)phenol is CCCCC#CC(O)c1ccccc1O.
What is the InChIKey of 2-(1-hydroxyhept-2-ynyl)phenol?
The InChIKey is OAIMFXBXJFKRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-3-4-5-9-12(14)11-8-6-7-10-13(11)15/h6-8,10,12,14-15H,2-4H2,1H3.
What are the key properties of 2-(1-hydroxyhept-2-ynyl)phenol?
2-(1-hydroxyhept-2-ynyl)phenol has a molecular weight of 204.27 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyhept-2-ynyl)phenol is sourced from PubChem (CID 23727446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).