(2-methoxy-4-prop-2-enylphenyl) (Z)-non-5-enoate

C19H26O3 — CID 140764178

IUPAC(2-methoxy-4-prop-2-enylphenyl) (Z)-non-5-enoate
SMILESC=CCc1ccc(OC(=O)CCC/C=C\CCC)c(OC)c1
InChIInChI=1S/C19H26O3/c1-4-6-7-8-9-10-12-19(20)22-17-14-13-16(11-5-2)15-18(17)21-3/h5,7-8,13-15H,2,4,6,9-12H2,1,3H3/b8-7-
InChIKeyZGEVYVFOXBHUFJ-FPLPWBNLSA-N
MW302.41 g/mol
LogP4.86
Rot. Bonds10

About (2-methoxy-4-prop-2-enylphenyl) (Z)-non-5-enoate

(2-methoxy-4-prop-2-enylphenyl) (Z)-non-5-enoate (PubChem CID 140764178) has the molecular formula C19H26O3 and a molecular weight of 302.41 g/mol. Its IUPAC name is (2-methoxy-4-prop-2-enylphenyl) (Z)-non-5-enoate.

Molecular Properties

Compound Name(2-methoxy-4-prop-2-enylphenyl) (Z)-non-5-enoate
PubChem CID140764178
Molecular FormulaC19H26O3
Molecular Weight302.41 g/mol
Exact Mass302.19
IUPAC Name(2-methoxy-4-prop-2-enylphenyl) (Z)-non-5-enoate
SMILESC=CCc1ccc(OC(=O)CCC/C=C\CCC)c(OC)c1
InChIInChI=1S/C19H26O3/c1-4-6-7-8-9-10-12-19(20)22-17-14-13-16(11-5-2)15-18(17)21-3/h5,7-8,13-15H,2,4,6,9-12H2,1,3H3/b8-7-
InChIKeyZGEVYVFOXBHUFJ-FPLPWBNLSA-N
XLogP4.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxy-4-prop-2-enylphenyl) (Z)-octadec-9-enoate
CID 67822934
bis(2-methoxy-4-prop-2-enylphenyl) pentanedioate
CID 139030994
(2-methoxy-4-prop-2-enylphenyl) (2R)-2-methylbutanoate
CID 93483199
acetic acid;(2-methoxy-4-prop-2-enylphenyl) acetate
CID 159570421
2-hydroxy-4-(2-methoxy-4-prop-2-enylphenoxy)-4-oxobutanoic acid
CID 67325524
(Z)-7-(3,4-dimethoxyphenyl)hept-5-enoic acid
CID 146568350
(2-methoxy-4-prop-2-enylphenyl) 2-phenoxyacetate
CID 137496757
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
chloromethyl (2-methoxy-4-prop-2-enylphenyl) carbonate
CID 88995763
1-butoxy-2-methoxy-4-prop-2-enylbenzene
CID 3019586
(4-ethyl-2-nonanoyloxyphenyl) nonanoate
CID 140675670
(4-formyl-2-methoxyphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 174832447

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-prop-2-enylphenyl) (Z)-non-5-enoate?
The IUPAC name of (2-methoxy-4-prop-2-enylphenyl) (Z)-non-5-enoate (CID 140764178) is (2-methoxy-4-prop-2-enylphenyl) (Z)-non-5-enoate.
What is the SMILES notation for (2-methoxy-4-prop-2-enylphenyl) (Z)-non-5-enoate?
The canonical SMILES for (2-methoxy-4-prop-2-enylphenyl) (Z)-non-5-enoate is C=CCc1ccc(OC(=O)CCC/C=C\CCC)c(OC)c1.
What is the InChIKey of (2-methoxy-4-prop-2-enylphenyl) (Z)-non-5-enoate?
The InChIKey is ZGEVYVFOXBHUFJ-FPLPWBNLSA-N. The full InChI is InChI=1S/C19H26O3/c1-4-6-7-8-9-10-12-19(20)22-17-14-13-16(11-5-2)15-18(17)21-3/h5,7-8,13-15H,2,4,6,9-12H2,1,3H3/b8-7-.
What are the key properties of (2-methoxy-4-prop-2-enylphenyl) (Z)-non-5-enoate?
(2-methoxy-4-prop-2-enylphenyl) (Z)-non-5-enoate has a molecular weight of 302.41 g/mol, XLogP of 4.86, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-prop-2-enylphenyl) (Z)-non-5-enoate is sourced from PubChem (CID 140764178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).