(2S)-2-ethyl-2,4-diphenylbut-3-yn-1-ol

C18H18O — CID 163297469

IUPAC(2S)-2-ethyl-2,4-diphenylbut-3-yn-1-ol
SMILESCC[C@](C#Cc1ccccc1)(CO)c1ccccc1
InChIInChI=1S/C18H18O/c1-2-18(15-19,17-11-7-4-8-12-17)14-13-16-9-5-3-6-10-16/h3-12,19H,2,15H2,1H3/t18-/m0/s1
InChIKeyFAGFYOWRJWMFEP-SFHVURJKSA-N
MW250.34 g/mol
LogP3.38
Rot. Bonds3

About (2S)-2-ethyl-2,4-diphenylbut-3-yn-1-ol

(2S)-2-ethyl-2,4-diphenylbut-3-yn-1-ol (PubChem CID 163297469) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is (2S)-2-ethyl-2,4-diphenylbut-3-yn-1-ol.

Molecular Properties

Compound Name(2S)-2-ethyl-2,4-diphenylbut-3-yn-1-ol
PubChem CID163297469
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name(2S)-2-ethyl-2,4-diphenylbut-3-yn-1-ol
SMILESCC[C@](C#Cc1ccccc1)(CO)c1ccccc1
InChIInChI=1S/C18H18O/c1-2-18(15-19,17-11-7-4-8-12-17)14-13-16-9-5-3-6-10-16/h3-12,19H,2,15H2,1H3/t18-/m0/s1
InChIKeyFAGFYOWRJWMFEP-SFHVURJKSA-N
XLogP3.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.38
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

N-[(2S)-2-ethyl-2,4-diphenylbut-3-ynyl]aniline
CID 163297447
(3S)-1,3-diphenylpent-1-yn-3-ol
CID 95185650
2,4-diphenylbut-3-yn-2-ylbenzene
CID 13072781
(3-ethyl-1-phenylpenta-1,4-diyn-3-yl)benzene
CID 91281470
2-(2-phenylethynyl)propane-1,2,3-triol
CID 166174399
3-methyl-1-phenylpent-1-yn-3-amine
CID 127003696
bis(2,4-diphenylbut-3-yn-2-ol);platinum
CID 11061246
3-ethyl-4-methyl-1-phenylpent-1-yn-3-ol
CID 13399450
ethyl 2-fluoro-2,4-diphenylbut-3-ynoate
CID 14533826
N,N,3-triethyl-1-phenylpent-1-yn-3-amine
CID 11322491
4-fluoro-1,3-diphenylpent-1-yn-3-ol
CID 132850440
(3S)-3-ethyl-1-phenylhept-1-yn-3-ol
CID 7010443

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-2,4-diphenylbut-3-yn-1-ol?
The IUPAC name of (2S)-2-ethyl-2,4-diphenylbut-3-yn-1-ol (CID 163297469) is (2S)-2-ethyl-2,4-diphenylbut-3-yn-1-ol.
What is the SMILES notation for (2S)-2-ethyl-2,4-diphenylbut-3-yn-1-ol?
The canonical SMILES for (2S)-2-ethyl-2,4-diphenylbut-3-yn-1-ol is CC[C@](C#Cc1ccccc1)(CO)c1ccccc1.
What is the InChIKey of (2S)-2-ethyl-2,4-diphenylbut-3-yn-1-ol?
The InChIKey is FAGFYOWRJWMFEP-SFHVURJKSA-N. The full InChI is InChI=1S/C18H18O/c1-2-18(15-19,17-11-7-4-8-12-17)14-13-16-9-5-3-6-10-16/h3-12,19H,2,15H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-2-ethyl-2,4-diphenylbut-3-yn-1-ol?
(2S)-2-ethyl-2,4-diphenylbut-3-yn-1-ol has a molecular weight of 250.34 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-2,4-diphenylbut-3-yn-1-ol is sourced from PubChem (CID 163297469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).