[(E)-3-(3-methoxyphenyl)prop-2-enyl] formate

C11H12O3 — CID 173173536

IUPAC[(E)-3-(3-methoxyphenyl)prop-2-enyl] formate
SMILESCOc1cccc(/C=C/COC=O)c1
InChIInChI=1S/C11H12O3/c1-13-11-6-2-4-10(8-11)5-3-7-14-9-12/h2-6,8-9H,7H2,1H3/b5-3+
InChIKeyHMXQMUOMJDQERF-HWKANZROSA-N
MW192.21 g/mol
LogP1.88
Rot. Bonds5

About [(E)-3-(3-methoxyphenyl)prop-2-enyl] formate

[(E)-3-(3-methoxyphenyl)prop-2-enyl] formate (PubChem CID 173173536) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is [(E)-3-(3-methoxyphenyl)prop-2-enyl] formate.

Molecular Properties

Compound Name[(E)-3-(3-methoxyphenyl)prop-2-enyl] formate
PubChem CID173173536
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name[(E)-3-(3-methoxyphenyl)prop-2-enyl] formate
SMILESCOc1cccc(/C=C/COC=O)c1
InChIInChI=1S/C11H12O3/c1-13-11-6-2-4-10(8-11)5-3-7-14-9-12/h2-6,8-9H,7H2,1H3/b5-3+
InChIKeyHMXQMUOMJDQERF-HWKANZROSA-N
XLogP1.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-but-1-enyl]-3-methoxybenzene
CID 5382989
[(E)-3-(2,4-dimethoxyphenyl)prop-2-enyl] formate
CID 173173470
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
(E)-6-(3-methoxyphenyl)hex-5-en-3-one
CID 71490780
N-(2-methoxyethyl)-3-(3-methoxyphenyl)prop-2-en-1-amine
CID 79340458
(E)-6-(3-methoxyphenyl)hex-5-en-1-ol
CID 14739737
S-[4-(3-methoxyphenyl)but-3-enyl] ethanethioate
CID 170479718
2-[3-(3-methoxyphenyl)prop-2-enoxyimino]propanoic acid;O-[3-(3-methoxyphenyl)prop-2-enyl]hydroxylamine
CID 88722895
3-(3-methoxyphenyl)-2-methylprop-2-enal
CID 54057122
5-(3-methoxyphenyl)pent-4-en-1-ynyl-trimethylsilane
CID 68705662
2-[(Z)-3-(3-methoxyphenyl)prop-2-enyl]-1,3-dioxane
CID 117062487
[(E)-3-(4-phenylphenyl)prop-2-enyl] formate
CID 140827492

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(3-methoxyphenyl)prop-2-enyl] formate?
The IUPAC name of [(E)-3-(3-methoxyphenyl)prop-2-enyl] formate (CID 173173536) is [(E)-3-(3-methoxyphenyl)prop-2-enyl] formate.
What is the SMILES notation for [(E)-3-(3-methoxyphenyl)prop-2-enyl] formate?
The canonical SMILES for [(E)-3-(3-methoxyphenyl)prop-2-enyl] formate is COc1cccc(/C=C/COC=O)c1.
What is the InChIKey of [(E)-3-(3-methoxyphenyl)prop-2-enyl] formate?
The InChIKey is HMXQMUOMJDQERF-HWKANZROSA-N. The full InChI is InChI=1S/C11H12O3/c1-13-11-6-2-4-10(8-11)5-3-7-14-9-12/h2-6,8-9H,7H2,1H3/b5-3+.
What are the key properties of [(E)-3-(3-methoxyphenyl)prop-2-enyl] formate?
[(E)-3-(3-methoxyphenyl)prop-2-enyl] formate has a molecular weight of 192.21 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(3-methoxyphenyl)prop-2-enyl] formate is sourced from PubChem (CID 173173536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).