methyl (Z)-3-(3-ethylphenyl)prop-2-enoate

C12H14O2 — CID 97305033

IUPACmethyl (Z)-3-(3-ethylphenyl)prop-2-enoate
SMILESCCc1cccc(/C=C\C(=O)OC)c1
InChIInChI=1S/C12H14O2/c1-3-10-5-4-6-11(9-10)7-8-12(13)14-2/h4-9H,3H2,1-2H3/b8-7-
InChIKeyXGBGXXICVPOUDG-FPLPWBNLSA-N
MW190.24 g/mol
LogP2.44
Rot. Bonds3

About methyl (Z)-3-(3-ethylphenyl)prop-2-enoate

methyl (Z)-3-(3-ethylphenyl)prop-2-enoate (PubChem CID 97305033) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is methyl (Z)-3-(3-ethylphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(3-ethylphenyl)prop-2-enoate
PubChem CID97305033
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Namemethyl (Z)-3-(3-ethylphenyl)prop-2-enoate
SMILESCCc1cccc(/C=C\C(=O)OC)c1
InChIInChI=1S/C12H14O2/c1-3-10-5-4-6-11(9-10)7-8-12(13)14-2/h4-9H,3H2,1-2H3/b8-7-
InChIKeyXGBGXXICVPOUDG-FPLPWBNLSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (2E,4E)-5-(3-ethylphenyl)penta-2,4-dienoate
CID 127264099
methyl 3-(3-propylphenyl)prop-2-enoate
CID 139892628
methyl 3-[3-(hydroxymethyl)phenyl]prop-2-enoate
CID 68585193
methyl (E)-3-[3-(aminomethyl)phenyl]prop-2-enoate;hydrochloride
CID 66927514
4-(3-ethylphenyl)but-3-en-2-one
CID 174630959
ethyl 3-[(E)-3-methoxy-3-oxoprop-1-enyl]benzoate
CID 101233550
methyl 3-[3-(2-methylprop-1-enyl)phenyl]prop-2-enoate
CID 139611465
methyl 3-(3-sulfanylphenyl)prop-2-enoate
CID 169478627
methyl (E)-3-(3-bromophenyl)prop-2-enoate
CID 1482751
methyl (E)-3-[3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]prop-2-enoate
CID 20738477
ethane;methyl (E)-3-(3-aminophenyl)prop-2-enoate
CID 144922211
(2E,4E)-5-(3-ethylphenyl)penta-2,4-dienoic acid
CID 22003641

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(3-ethylphenyl)prop-2-enoate?
The IUPAC name of methyl (Z)-3-(3-ethylphenyl)prop-2-enoate (CID 97305033) is methyl (Z)-3-(3-ethylphenyl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-(3-ethylphenyl)prop-2-enoate?
The canonical SMILES for methyl (Z)-3-(3-ethylphenyl)prop-2-enoate is CCc1cccc(/C=C\C(=O)OC)c1.
What is the InChIKey of methyl (Z)-3-(3-ethylphenyl)prop-2-enoate?
The InChIKey is XGBGXXICVPOUDG-FPLPWBNLSA-N. The full InChI is InChI=1S/C12H14O2/c1-3-10-5-4-6-11(9-10)7-8-12(13)14-2/h4-9H,3H2,1-2H3/b8-7-.
What are the key properties of methyl (Z)-3-(3-ethylphenyl)prop-2-enoate?
methyl (Z)-3-(3-ethylphenyl)prop-2-enoate has a molecular weight of 190.24 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(3-ethylphenyl)prop-2-enoate is sourced from PubChem (CID 97305033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).