[(Z)-1-(2-methylphenyl)prop-1-enyl] formate

C11H12O2 — CID 142267144

IUPAC[(Z)-1-(2-methylphenyl)prop-1-enyl] formate
SMILESC/C=C(\OC=O)c1ccccc1C
InChIInChI=1S/C11H12O2/c1-3-11(13-8-12)10-7-5-4-6-9(10)2/h3-8H,1-2H3/b11-3-
InChIKeyCVCXSFUCNXWXER-JYOAFUTRSA-N
MW176.21 g/mol
LogP2.53
Rot. Bonds3

About [(Z)-1-(2-methylphenyl)prop-1-enyl] formate

[(Z)-1-(2-methylphenyl)prop-1-enyl] formate (PubChem CID 142267144) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is [(Z)-1-(2-methylphenyl)prop-1-enyl] formate.

Molecular Properties

Compound Name[(Z)-1-(2-methylphenyl)prop-1-enyl] formate
PubChem CID142267144
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name[(Z)-1-(2-methylphenyl)prop-1-enyl] formate
SMILESC/C=C(\OC=O)c1ccccc1C
InChIInChI=1S/C11H12O2/c1-3-11(13-8-12)10-7-5-4-6-9(10)2/h3-8H,1-2H3/b11-3-
InChIKeyCVCXSFUCNXWXER-JYOAFUTRSA-N
XLogP2.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethane;(E)-2-(2-methylphenyl)but-2-enal
CID 143157071
ethane;methoxymethane;1-(2-methylphenyl)ethanone
CID 90975384
ethane;1-(2-methylphenyl)ethanone;prop-1-ene
CID 171517790
1-[(E)-but-2-en-2-yl]-2-methylbenzene
CID 12835573
ethane;1-(2-methylphenyl)ethanone
CID 91374073
bromo 2-methylbenzoate
CID 67185739
(E)-1-(2-methylphenyl)prop-1-ene-1-thiol
CID 142259115
carbanide;1-(2-methylphenyl)ethanone;tris(yttrium)
CID 160605653
(Z)-1-(2-methylphenyl)prop-1-en-1-amine
CID 126678655
ethane;methane;methyl 2-methylbenzoate
CID 168902289
formic acid;1,2-xylene
CID 175948526
acetaldehyde;1-(2-acetylphenyl)ethanone
CID 159210458

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(2-methylphenyl)prop-1-enyl] formate?
The IUPAC name of [(Z)-1-(2-methylphenyl)prop-1-enyl] formate (CID 142267144) is [(Z)-1-(2-methylphenyl)prop-1-enyl] formate.
What is the SMILES notation for [(Z)-1-(2-methylphenyl)prop-1-enyl] formate?
The canonical SMILES for [(Z)-1-(2-methylphenyl)prop-1-enyl] formate is C/C=C(\OC=O)c1ccccc1C.
What is the InChIKey of [(Z)-1-(2-methylphenyl)prop-1-enyl] formate?
The InChIKey is CVCXSFUCNXWXER-JYOAFUTRSA-N. The full InChI is InChI=1S/C11H12O2/c1-3-11(13-8-12)10-7-5-4-6-9(10)2/h3-8H,1-2H3/b11-3-.
What are the key properties of [(Z)-1-(2-methylphenyl)prop-1-enyl] formate?
[(Z)-1-(2-methylphenyl)prop-1-enyl] formate has a molecular weight of 176.21 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(2-methylphenyl)prop-1-enyl] formate is sourced from PubChem (CID 142267144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).