[2-[(E)-but-2-enyl]-5-ethoxy-4-methoxyphenyl]methanol

C14H20O3 — CID 23247254

IUPAC[2-[(E)-but-2-enyl]-5-ethoxy-4-methoxyphenyl]methanol
SMILESC/C=C/Cc1cc(OC)c(OCC)cc1CO
InChIInChI=1S/C14H20O3/c1-4-6-7-11-8-13(16-3)14(17-5-2)9-12(11)10-15/h4,6,8-9,15H,5,7,10H2,1-3H3/b6-4+
InChIKeyXDNOFWGMZAWFNF-GQCTYLIASA-N
MW236.31 g/mol
LogP2.70
Rot. Bonds6

About [2-[(E)-but-2-enyl]-5-ethoxy-4-methoxyphenyl]methanol

[2-[(E)-but-2-enyl]-5-ethoxy-4-methoxyphenyl]methanol (PubChem CID 23247254) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is [2-[(E)-but-2-enyl]-5-ethoxy-4-methoxyphenyl]methanol.

Molecular Properties

Compound Name[2-[(E)-but-2-enyl]-5-ethoxy-4-methoxyphenyl]methanol
PubChem CID23247254
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name[2-[(E)-but-2-enyl]-5-ethoxy-4-methoxyphenyl]methanol
SMILESC/C=C/Cc1cc(OC)c(OCC)cc1CO
InChIInChI=1S/C14H20O3/c1-4-6-7-11-8-13(16-3)14(17-5-2)9-12(11)10-15/h4,6,8-9,15H,5,7,10H2,1-3H3/b6-4+
InChIKeyXDNOFWGMZAWFNF-GQCTYLIASA-N
XLogP2.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-but-2-enyl]-4-ethoxy-5-methoxy-2-(prop-2-enoxymethyl)benzene
CID 11425874
(2-bromo-5-ethoxy-4-methoxyphenyl)methanol
CID 893488
(2-ethyl-4,5-dimethoxyphenyl)methanol
CID 14094580
(4-ethoxy-5-methoxy-2-nitrophenyl)methanol
CID 43311689
[4-[2-[2-ethyl-4,5-bis(hydroxymethyl)phenoxy]ethoxy]-2-(hydroxymethyl)-5-methoxyphenyl]methanol
CID 134578778
1,5-diethoxy-2-methoxy-4-prop-2-enylbenzene
CID 22295057
(6,13-diethoxy-12,19-dimethoxy-20-methyl-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaenyl)methanol;formaldehyde
CID 159665762
2-(2-bromo-4-ethoxy-5-methoxyphenyl)ethanamine
CID 170868746
(6-ethoxy-7-methoxynaphthalen-1-yl)methanol;hydrochloride
CID 172703770
(2-ethoxy-4,5-dimethylphenyl)methanol
CID 131316252
(2R)-2-amino-2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]ethanol
CID 66515094
3-(4-ethoxy-2,5-dimethoxyphenyl)propan-1-amine
CID 171474993

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-but-2-enyl]-5-ethoxy-4-methoxyphenyl]methanol?
The IUPAC name of [2-[(E)-but-2-enyl]-5-ethoxy-4-methoxyphenyl]methanol (CID 23247254) is [2-[(E)-but-2-enyl]-5-ethoxy-4-methoxyphenyl]methanol.
What is the SMILES notation for [2-[(E)-but-2-enyl]-5-ethoxy-4-methoxyphenyl]methanol?
The canonical SMILES for [2-[(E)-but-2-enyl]-5-ethoxy-4-methoxyphenyl]methanol is C/C=C/Cc1cc(OC)c(OCC)cc1CO.
What is the InChIKey of [2-[(E)-but-2-enyl]-5-ethoxy-4-methoxyphenyl]methanol?
The InChIKey is XDNOFWGMZAWFNF-GQCTYLIASA-N. The full InChI is InChI=1S/C14H20O3/c1-4-6-7-11-8-13(16-3)14(17-5-2)9-12(11)10-15/h4,6,8-9,15H,5,7,10H2,1-3H3/b6-4+.
What are the key properties of [2-[(E)-but-2-enyl]-5-ethoxy-4-methoxyphenyl]methanol?
[2-[(E)-but-2-enyl]-5-ethoxy-4-methoxyphenyl]methanol has a molecular weight of 236.31 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-but-2-enyl]-5-ethoxy-4-methoxyphenyl]methanol is sourced from PubChem (CID 23247254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).