4-(2-ethylphenyl)but-3-yn-1-ol

C12H14O — CID 130165779

IUPAC4-(2-ethylphenyl)but-3-yn-1-ol
SMILESCCc1ccccc1C#CCCO
InChIInChI=1S/C12H14O/c1-2-11-7-3-4-8-12(11)9-5-6-10-13/h3-4,7-8,13H,2,6,10H2,1H3
InChIKeyRZMUFJASAGDWAL-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.98
Rot. Bonds2

About 4-(2-ethylphenyl)but-3-yn-1-ol

4-(2-ethylphenyl)but-3-yn-1-ol (PubChem CID 130165779) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 4-(2-ethylphenyl)but-3-yn-1-ol.

Molecular Properties

Compound Name4-(2-ethylphenyl)but-3-yn-1-ol
PubChem CID130165779
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name4-(2-ethylphenyl)but-3-yn-1-ol
SMILESCCc1ccccc1C#CCCO
InChIInChI=1S/C12H14O/c1-2-11-7-3-4-8-12(11)9-5-6-10-13/h3-4,7-8,13H,2,6,10H2,1H3
InChIKeyRZMUFJASAGDWAL-UHFFFAOYSA-N
XLogP1.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.98
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

1-ethyl-2-(3-methoxyprop-1-ynyl)benzene
CID 91875161
1-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]-4-methylpiperazine-2,5-dione
CID 79937093
4-[2-[[2-ethoxyethyl(ethyl)amino]methyl]phenyl]but-3-yn-1-ol
CID 63691389
3-ethyl-4-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]piperazin-2-one
CID 63601549
4-[2-(2,2-difluoroethoxymethyl)phenyl]but-3-yn-1-ol
CID 82006810
4-[2-(cyclopentyloxymethyl)phenyl]but-3-yn-1-ol
CID 54969805
4-[2-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol
CID 82960795
N-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidine-1-carboxamide
CID 79156733
4-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]-3-methylpiperazin-2-one
CID 63608397
4-[2-[(2-propylpiperidin-1-yl)methyl]phenyl]but-3-yn-1-ol
CID 83044306
N-[(2-pent-1-ynylphenyl)methyl]aniline
CID 101378600
N-butan-2-yl-2-(4-hydroxybut-1-ynyl)-N-methylbenzenesulfonamide
CID 60845298

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylphenyl)but-3-yn-1-ol?
The IUPAC name of 4-(2-ethylphenyl)but-3-yn-1-ol (CID 130165779) is 4-(2-ethylphenyl)but-3-yn-1-ol.
What is the SMILES notation for 4-(2-ethylphenyl)but-3-yn-1-ol?
The canonical SMILES for 4-(2-ethylphenyl)but-3-yn-1-ol is CCc1ccccc1C#CCCO.
What is the InChIKey of 4-(2-ethylphenyl)but-3-yn-1-ol?
The InChIKey is RZMUFJASAGDWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-2-11-7-3-4-8-12(11)9-5-6-10-13/h3-4,7-8,13H,2,6,10H2,1H3.
What are the key properties of 4-(2-ethylphenyl)but-3-yn-1-ol?
4-(2-ethylphenyl)but-3-yn-1-ol has a molecular weight of 174.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylphenyl)but-3-yn-1-ol is sourced from PubChem (CID 130165779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).