(3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol

C15H18O3 — CID 126123356

IUPAC(3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol
SMILESC#CCOc1c(CC=C)cc(CO)cc1OCC
InChIInChI=1S/C15H18O3/c1-4-7-13-9-12(11-16)10-14(17-6-3)15(13)18-8-5-2/h2,4,9-10,16H,1,6-8,11H2,3H3
InChIKeyWEUPADQCKSYZKD-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.32
Rot. Bonds7

About (3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol

(3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol (PubChem CID 126123356) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is (3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol.

Molecular Properties

Compound Name(3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol
PubChem CID126123356
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name(3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol
SMILESC#CCOc1c(CC=C)cc(CO)cc1OCC
InChIInChI=1S/C15H18O3/c1-4-7-13-9-12(11-16)10-14(17-6-3)15(13)18-8-5-2/h2,4,9-10,16H,1,6-8,11H2,3H3
InChIKeyWEUPADQCKSYZKD-UHFFFAOYSA-N
XLogP2.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(3-methoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol
CID 126116692
(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methanamine
CID 54849601
(5Z)-5-[(3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 2300593
9-(3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 126075177
(Z)-2-cyano-3-(3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 126239899
(E)-2-cyano-3-(3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 126069808
(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methanamine
CID 60888713
(E)-N-(3-chlorophenyl)-2-cyano-3-(3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)prop-2-enamide
CID 126071471
(5E)-5-[(3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 6072097
4-(2-aminoethyl)-2-ethoxy-6-prop-2-enylphenol
CID 170868751
N-(3-chloro-4-methylphenyl)-2-cyano-3-(3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)prop-2-enamide
CID 4207805
N-[(3,4-diethoxy-5-prop-2-enylphenyl)methyl]-2-methylaniline
CID 126116662

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol?
The IUPAC name of (3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol (CID 126123356) is (3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol.
What is the SMILES notation for (3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol?
The canonical SMILES for (3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol is C#CCOc1c(CC=C)cc(CO)cc1OCC.
What is the InChIKey of (3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol?
The InChIKey is WEUPADQCKSYZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-4-7-13-9-12(11-16)10-14(17-6-3)15(13)18-8-5-2/h2,4,9-10,16H,1,6-8,11H2,3H3.
What are the key properties of (3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol?
(3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol has a molecular weight of 246.31 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol is sourced from PubChem (CID 126123356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).