1-(3-ethynylphenyl)ethanol

C10H10O — CID 163361172

IUPAC1-(3-ethynylphenyl)ethanol
SMILESC#Cc1cccc(C(C)O)c1
InChIInChI=1S/C10H10O/c1-3-9-5-4-6-10(7-9)8(2)11/h1,4-8,11H,2H3
InChIKeyNDNBTBNOCGSXHL-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.72
Rot. Bonds1

About 1-(3-ethynylphenyl)ethanol

1-(3-ethynylphenyl)ethanol (PubChem CID 163361172) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-(3-ethynylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-ethynylphenyl)ethanol
PubChem CID163361172
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name1-(3-ethynylphenyl)ethanol
SMILESC#Cc1cccc(C(C)O)c1
InChIInChI=1S/C10H10O/c1-3-9-5-4-6-10(7-9)8(2)11/h1,4-8,11H,2H3
InChIKeyNDNBTBNOCGSXHL-UHFFFAOYSA-N
XLogP1.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[3-[3-[(1R)-1-hydroxyethyl]phenyl]phenyl]ethanol
CID 15321486
1-[(1S)-1-(3-ethynylphenyl)ethyl]pyrazole
CID 141433628
(1R)-1-(3-ethynylphenyl)butan-1-amine
CID 55275077
N-[3-(1-aminoethyl)phenyl]-3-ethynylaniline
CID 129131490
1-(4-ethynyl-2-methylphenyl)ethanol
CID 88896160
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
1-[3-[hydroxy(methoxy)methyl]phenyl]ethanol
CID 174484304
4-[1-(3-ethynylanilino)ethyl]phenol
CID 43189626
(1S)-1-phenylethanol
CID 157125626
3-(1-chloroethyl)benzonitrile;dichloromethane;3-(1-hydroxyethyl)benzonitrile;thionyl dichloride
CID 162101987
3-ethynyl-N-(4-propan-2-ylphenyl)aniline
CID 155290560
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethynylphenyl)ethanol?
The IUPAC name of 1-(3-ethynylphenyl)ethanol (CID 163361172) is 1-(3-ethynylphenyl)ethanol.
What is the SMILES notation for 1-(3-ethynylphenyl)ethanol?
The canonical SMILES for 1-(3-ethynylphenyl)ethanol is C#Cc1cccc(C(C)O)c1.
What is the InChIKey of 1-(3-ethynylphenyl)ethanol?
The InChIKey is NDNBTBNOCGSXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c1-3-9-5-4-6-10(7-9)8(2)11/h1,4-8,11H,2H3.
What are the key properties of 1-(3-ethynylphenyl)ethanol?
1-(3-ethynylphenyl)ethanol has a molecular weight of 146.19 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethynylphenyl)ethanol is sourced from PubChem (CID 163361172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).