4,4-dimethyl-1-(2-prop-2-enoxyphenyl)pent-2-yn-1-ol

C16H20O2 — CID 102215116

IUPAC4,4-dimethyl-1-(2-prop-2-enoxyphenyl)pent-2-yn-1-ol
SMILESC=CCOc1ccccc1C(O)C#CC(C)(C)C
InChIInChI=1S/C16H20O2/c1-5-12-18-15-9-7-6-8-13(15)14(17)10-11-16(2,3)4/h5-9,14,17H,1,12H2,2-4H3
InChIKeyCFEKYVDGIBDWSX-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.33
Rot. Bonds4

About 4,4-dimethyl-1-(2-prop-2-enoxyphenyl)pent-2-yn-1-ol

4,4-dimethyl-1-(2-prop-2-enoxyphenyl)pent-2-yn-1-ol (PubChem CID 102215116) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4,4-dimethyl-1-(2-prop-2-enoxyphenyl)pent-2-yn-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(2-prop-2-enoxyphenyl)pent-2-yn-1-ol
PubChem CID102215116
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name4,4-dimethyl-1-(2-prop-2-enoxyphenyl)pent-2-yn-1-ol
SMILESC=CCOc1ccccc1C(O)C#CC(C)(C)C
InChIInChI=1S/C16H20O2/c1-5-12-18-15-9-7-6-8-13(15)14(17)10-11-16(2,3)4/h5-9,14,17H,1,12H2,2-4H3
InChIKeyCFEKYVDGIBDWSX-UHFFFAOYSA-N
XLogP3.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-prop-2-enoxyphenyl)propane-1,2,3-triol
CID 170819149
(1S)-N-methyl-1-(2-prop-2-enoxyphenyl)ethanamine
CID 137320021
tert-butyl N-[2,3-dihydroxy-3-(2-prop-2-enoxyphenyl)propyl]carbamate
CID 170833441
1-tert-butyl-2-prop-2-enoxybenzene
CID 637356
1-prop-2-enoxy-2-[2-(2-prop-2-enoxyphenyl)propan-2-yl]benzene
CID 121396887
[2-oxo-1-(2-prop-2-enoxyphenyl)propyl] acetate
CID 51033135
1-(methoxymethoxy)-2-prop-2-enoxybenzene
CID 121218141
methyl (3R)-4,4-bis(benzenesulfonyl)-2-methylidene-3-(2-prop-2-enoxyphenyl)butanoate
CID 56653945
(2-prop-2-enoxyphenyl)methanetriol
CID 23453506
1-[(E)-1-methoxyprop-1-enyl]-2-prop-2-enoxybenzene
CID 67861260
1-[2-[(E)-but-2-enoxy]phenyl]ethanol
CID 43504052
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(2-prop-2-enoxyphenyl)pent-2-yn-1-ol?
The IUPAC name of 4,4-dimethyl-1-(2-prop-2-enoxyphenyl)pent-2-yn-1-ol (CID 102215116) is 4,4-dimethyl-1-(2-prop-2-enoxyphenyl)pent-2-yn-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-(2-prop-2-enoxyphenyl)pent-2-yn-1-ol?
The canonical SMILES for 4,4-dimethyl-1-(2-prop-2-enoxyphenyl)pent-2-yn-1-ol is C=CCOc1ccccc1C(O)C#CC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-(2-prop-2-enoxyphenyl)pent-2-yn-1-ol?
The InChIKey is CFEKYVDGIBDWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-5-12-18-15-9-7-6-8-13(15)14(17)10-11-16(2,3)4/h5-9,14,17H,1,12H2,2-4H3.
What are the key properties of 4,4-dimethyl-1-(2-prop-2-enoxyphenyl)pent-2-yn-1-ol?
4,4-dimethyl-1-(2-prop-2-enoxyphenyl)pent-2-yn-1-ol has a molecular weight of 244.33 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(2-prop-2-enoxyphenyl)pent-2-yn-1-ol is sourced from PubChem (CID 102215116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).