3-ethyl-4-methyl-1-phenylpent-1-yn-3-ol

C14H18O — CID 13399450

IUPAC3-ethyl-4-methyl-1-phenylpent-1-yn-3-ol
SMILESCCC(O)(C#Cc1ccccc1)C(C)C
InChIInChI=1S/C14H18O/c1-4-14(15,12(2)3)11-10-13-8-6-5-7-9-13/h5-9,12,15H,4H2,1-3H3
InChIKeySSMYFAWHEXIQFB-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.84
Rot. Bonds2

About 3-ethyl-4-methyl-1-phenylpent-1-yn-3-ol

3-ethyl-4-methyl-1-phenylpent-1-yn-3-ol (PubChem CID 13399450) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-ethyl-4-methyl-1-phenylpent-1-yn-3-ol.

Molecular Properties

Compound Name3-ethyl-4-methyl-1-phenylpent-1-yn-3-ol
PubChem CID13399450
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name3-ethyl-4-methyl-1-phenylpent-1-yn-3-ol
SMILESCCC(O)(C#Cc1ccccc1)C(C)C
InChIInChI=1S/C14H18O/c1-4-14(15,12(2)3)11-10-13-8-6-5-7-9-13/h5-9,12,15H,4H2,1-3H3
InChIKeySSMYFAWHEXIQFB-UHFFFAOYSA-N
XLogP2.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.84
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

(1S,2S,3S)-3-ethyl-2-methyl-1,5-diphenylpent-4-yne-1,3-diol
CID 101126743
(3S)-1,3-diphenylpent-1-yn-3-ol
CID 95185650
(3-ethyl-1-phenylpent-1-yn-3-yl) methyl carbonate
CID 164887641
(3S)-3-ethyl-1-phenylhept-1-yn-3-ol
CID 7010443
3-methyl-1-phenylpent-1-yn-3-amine
CID 127003696
2-(2-phenylethynyl)propane-1,2,3-triol
CID 166174399
2-amino-4-phenylbut-3-yn-2-ol
CID 143801475
N,N,3-triethyl-1-phenylpent-1-yn-3-amine
CID 11322491
(2S)-2-ethyl-2,4-diphenylbut-3-yn-1-ol
CID 163297469
4-fluoro-1,3-diphenylpent-1-yn-3-ol
CID 132850440
(3-ethyl-1-phenylpenta-1,4-diyn-3-yl)benzene
CID 91281470
bis(2,4-diphenylbut-3-yn-2-ol);platinum
CID 11061246

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-1-phenylpent-1-yn-3-ol?
The IUPAC name of 3-ethyl-4-methyl-1-phenylpent-1-yn-3-ol (CID 13399450) is 3-ethyl-4-methyl-1-phenylpent-1-yn-3-ol.
What is the SMILES notation for 3-ethyl-4-methyl-1-phenylpent-1-yn-3-ol?
The canonical SMILES for 3-ethyl-4-methyl-1-phenylpent-1-yn-3-ol is CCC(O)(C#Cc1ccccc1)C(C)C.
What is the InChIKey of 3-ethyl-4-methyl-1-phenylpent-1-yn-3-ol?
The InChIKey is SSMYFAWHEXIQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-4-14(15,12(2)3)11-10-13-8-6-5-7-9-13/h5-9,12,15H,4H2,1-3H3.
What are the key properties of 3-ethyl-4-methyl-1-phenylpent-1-yn-3-ol?
3-ethyl-4-methyl-1-phenylpent-1-yn-3-ol has a molecular weight of 202.30 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-1-phenylpent-1-yn-3-ol is sourced from PubChem (CID 13399450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).