ethene;(3-methylphenyl) prop-2-enoate

C12H14O2 — CID 161018707

IUPACethene;(3-methylphenyl) prop-2-enoate
SMILESC=C.C=CC(=O)Oc1cccc(C)c1
InChIInChI=1S/C10H10O2.C2H4/c1-3-10(11)12-9-6-4-5-8(2)7-9;1-2/h3-7H,1H2,2H3;1-2H2
InChIKeyTYBNKABVLGQQRR-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.89
Rot. Bonds2

About ethene;(3-methylphenyl) prop-2-enoate

ethene;(3-methylphenyl) prop-2-enoate (PubChem CID 161018707) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is ethene;(3-methylphenyl) prop-2-enoate.

Molecular Properties

Compound Nameethene;(3-methylphenyl) prop-2-enoate
PubChem CID161018707
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Nameethene;(3-methylphenyl) prop-2-enoate
SMILESC=C.C=CC(=O)Oc1cccc(C)c1
InChIInChI=1S/C10H10O2.C2H4/c1-3-10(11)12-9-6-4-5-8(2)7-9;1-2/h3-7H,1H2,2H3;1-2H2
InChIKeyTYBNKABVLGQQRR-UHFFFAOYSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-(3-methoxy-N-(3-methylphenyl)anilino)phenyl] prop-2-enoate
CID 163477800
(3-fluorophenyl) prop-2-enoate
CID 21098293
(3-chlorophenyl) prop-2-enoate
CID 10241458
(3-carbonochloridoyloxyphenyl) prop-2-enoate
CID 174628554
(3-ethoxyphenyl) prop-2-enoate
CID 54380290
phenyl 4-methyl-2-prop-2-enoyloxybenzoate
CID 89405536
ethene;1-methyl-3-[(3Z)-penta-1,3-dien-2-yl]oxybenzene
CID 142857117
[4-[4-(N-(3-methylphenyl)-4-prop-2-enoyloxyanilino)phenyl]phenyl] prop-2-enoate
CID 59832794
bis(3-methylphenyl) pentanedioate
CID 70246036
[3-(2,2-dichloroacetyl)oxyphenyl] prop-2-enoate
CID 91692780
3-(3-hydroxyphenyl)phenol;[3-(3-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 160578050
2-(3-prop-2-enoyloxyphenyl)propanoic acid
CID 142749581

Frequently Asked Questions

What is the IUPAC name of ethene;(3-methylphenyl) prop-2-enoate?
The IUPAC name of ethene;(3-methylphenyl) prop-2-enoate (CID 161018707) is ethene;(3-methylphenyl) prop-2-enoate.
What is the SMILES notation for ethene;(3-methylphenyl) prop-2-enoate?
The canonical SMILES for ethene;(3-methylphenyl) prop-2-enoate is C=C.C=CC(=O)Oc1cccc(C)c1.
What is the InChIKey of ethene;(3-methylphenyl) prop-2-enoate?
The InChIKey is TYBNKABVLGQQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2.C2H4/c1-3-10(11)12-9-6-4-5-8(2)7-9;1-2/h3-7H,1H2,2H3;1-2H2.
What are the key properties of ethene;(3-methylphenyl) prop-2-enoate?
ethene;(3-methylphenyl) prop-2-enoate has a molecular weight of 190.24 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(3-methylphenyl) prop-2-enoate is sourced from PubChem (CID 161018707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).