3-ethynyl-3-(4-methoxyphenyl)pent-4-yn-1-ol

C14H14O2 — CID 135072076

IUPAC3-ethynyl-3-(4-methoxyphenyl)pent-4-yn-1-ol
SMILESC#CC(C#C)(CCO)c1ccc(OC)cc1
InChIInChI=1S/C14H14O2/c1-4-14(5-2,10-11-15)12-6-8-13(16-3)9-7-12/h1-2,6-9,15H,10-11H2,3H3
InChIKeyCVPRBDQUIJLJNC-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.58
Rot. Bonds4

About 3-ethynyl-3-(4-methoxyphenyl)pent-4-yn-1-ol

3-ethynyl-3-(4-methoxyphenyl)pent-4-yn-1-ol (PubChem CID 135072076) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-ethynyl-3-(4-methoxyphenyl)pent-4-yn-1-ol.

Molecular Properties

Compound Name3-ethynyl-3-(4-methoxyphenyl)pent-4-yn-1-ol
PubChem CID135072076
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name3-ethynyl-3-(4-methoxyphenyl)pent-4-yn-1-ol
SMILESC#CC(C#C)(CCO)c1ccc(OC)cc1
InChIInChI=1S/C14H14O2/c1-4-14(5-2,10-11-15)12-6-8-13(16-3)9-7-12/h1-2,6-9,15H,10-11H2,3H3
InChIKeyCVPRBDQUIJLJNC-UHFFFAOYSA-N
XLogP1.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)prop-2-ynyl]benzene
CID 148766498
1-[4-[4-[1-hydroxy-1-(4-methoxyphenyl)prop-2-ynyl]phenyl]phenyl]-1-(4-methoxyphenyl)prop-2-yn-1-ol
CID 169006869
2-(hydroxymethyl)-2-(4-methoxyphenyl)propane-1,3-diol
CID 175668445
3-(aminomethyl)-3-(4-methoxyphenyl)pentan-1-ol
CID 66090969
2-methoxy-2-(4-methoxyphenyl)propan-1-ol
CID 105449931
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
(4-methoxyphenyl)-diphenylmethanamine
CID 21477757
1-methoxy-4-(2-methylbut-3-yn-2-yloxy)benzene
CID 11830222
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol
CID 19875161
4-(4-methoxyphenyl)-3-methylhepta-1,2-dien-6-yn-4-ol
CID 139260557
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 111505453
1-[4-(hydroxymethyl)phenyl]-1-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 58480145

Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-3-(4-methoxyphenyl)pent-4-yn-1-ol?
The IUPAC name of 3-ethynyl-3-(4-methoxyphenyl)pent-4-yn-1-ol (CID 135072076) is 3-ethynyl-3-(4-methoxyphenyl)pent-4-yn-1-ol.
What is the SMILES notation for 3-ethynyl-3-(4-methoxyphenyl)pent-4-yn-1-ol?
The canonical SMILES for 3-ethynyl-3-(4-methoxyphenyl)pent-4-yn-1-ol is C#CC(C#C)(CCO)c1ccc(OC)cc1.
What is the InChIKey of 3-ethynyl-3-(4-methoxyphenyl)pent-4-yn-1-ol?
The InChIKey is CVPRBDQUIJLJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-4-14(5-2,10-11-15)12-6-8-13(16-3)9-7-12/h1-2,6-9,15H,10-11H2,3H3.
What are the key properties of 3-ethynyl-3-(4-methoxyphenyl)pent-4-yn-1-ol?
3-ethynyl-3-(4-methoxyphenyl)pent-4-yn-1-ol has a molecular weight of 214.26 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-3-(4-methoxyphenyl)pent-4-yn-1-ol is sourced from PubChem (CID 135072076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).