[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl] (Z)-2-methylbut-2-enoate

C15H18O4 — CID 46918723

IUPAC[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl] (Z)-2-methylbut-2-enoate
SMILESC/C=C(/C)C(=O)Oc1ccc(/C=C/CO)cc1OC
InChIInChI=1S/C15H18O4/c1-4-11(2)15(17)19-13-8-7-12(6-5-9-16)10-14(13)18-3/h4-8,10,16H,9H2,1-3H3/b6-5+,11-4-
InChIKeyLBTSUNDGPKYVGX-AHJSKDGKSA-N
MW262.31 g/mol
LogP2.57
Rot. Bonds5

About [4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl] (Z)-2-methylbut-2-enoate

[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl] (Z)-2-methylbut-2-enoate (PubChem CID 46918723) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is [4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl] (Z)-2-methylbut-2-enoate.

Molecular Properties

Compound Name[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl] (Z)-2-methylbut-2-enoate
PubChem CID46918723
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl] (Z)-2-methylbut-2-enoate
SMILESC/C=C(/C)C(=O)Oc1ccc(/C=C/CO)cc1OC
InChIInChI=1S/C15H18O4/c1-4-11(2)15(17)19-13-8-7-12(6-5-9-16)10-14(13)18-3/h4-8,10,16H,9H2,1-3H3/b6-5+,11-4-
InChIKeyLBTSUNDGPKYVGX-AHJSKDGKSA-N
XLogP2.57
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-3-hydroxyprop-1-enyl]-2-methoxybenzoic acid
CID 101130006
4-(3-hydroxyprop-1-enyl)-2-methoxybenzoic acid
CID 169453817
3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol
CID 66664968
(E)-3-(4-methoxy-3-methylphenyl)prop-2-en-1-ol
CID 59912945
5-(3-hydroxyprop-1-enyl)-2-methoxyphenol
CID 79334673
3-(4-acetyloxy-3-methoxyphenyl)prop-2-enyl acetate
CID 613644
(E)-3-(4-chloro-3-methoxyphenyl)prop-2-en-1-ol
CID 130131205
(2,6-dimethoxy-4-prop-1-enylphenyl) 2-methylbut-2-enoate
CID 162967037
[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] acetate
CID 5387771
3-[3-(chloromethyl)-4-methoxyphenyl]prop-2-en-1-ol
CID 169454426
3-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol
CID 163079433
S-[4-(3,4-dimethoxyphenyl)but-3-enyl] ethanethioate
CID 170480387

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl] (Z)-2-methylbut-2-enoate?
The IUPAC name of [4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl] (Z)-2-methylbut-2-enoate (CID 46918723) is [4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl] (Z)-2-methylbut-2-enoate.
What is the SMILES notation for [4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl] (Z)-2-methylbut-2-enoate?
The canonical SMILES for [4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl] (Z)-2-methylbut-2-enoate is C/C=C(/C)C(=O)Oc1ccc(/C=C/CO)cc1OC.
What is the InChIKey of [4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl] (Z)-2-methylbut-2-enoate?
The InChIKey is LBTSUNDGPKYVGX-AHJSKDGKSA-N. The full InChI is InChI=1S/C15H18O4/c1-4-11(2)15(17)19-13-8-7-12(6-5-9-16)10-14(13)18-3/h4-8,10,16H,9H2,1-3H3/b6-5+,11-4-.
What are the key properties of [4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl] (Z)-2-methylbut-2-enoate?
[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl] (Z)-2-methylbut-2-enoate has a molecular weight of 262.31 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl] (Z)-2-methylbut-2-enoate is sourced from PubChem (CID 46918723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).