[4-(2,3-dimethylphenyl)phenyl] prop-2-enoate

C17H16O2 — CID 174664238

IUPAC[4-(2,3-dimethylphenyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2cccc(C)c2C)cc1
InChIInChI=1S/C17H16O2/c1-4-17(18)19-15-10-8-14(9-11-15)16-7-5-6-12(2)13(16)3/h4-11H,1H2,2-3H3
InChIKeyPQNGXACHFWYTIA-UHFFFAOYSA-N
MW252.31 g/mol
LogP4.06
Rot. Bonds3

About [4-(2,3-dimethylphenyl)phenyl] prop-2-enoate

[4-(2,3-dimethylphenyl)phenyl] prop-2-enoate (PubChem CID 174664238) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is [4-(2,3-dimethylphenyl)phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-(2,3-dimethylphenyl)phenyl] prop-2-enoate
PubChem CID174664238
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name[4-(2,3-dimethylphenyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2cccc(C)c2C)cc1
InChIInChI=1S/C17H16O2/c1-4-17(18)19-15-10-8-14(9-11-15)16-7-5-6-12(2)13(16)3/h4-11H,1H2,2-3H3
InChIKeyPQNGXACHFWYTIA-UHFFFAOYSA-N
XLogP4.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-(2,3-dimethylphenyl)-N-[4-[1-[4-[4-(2,3-dimethylphenyl)-N-(4-prop-2-enoyloxyphenyl)anilino]phenyl]cyclohexyl]phenyl]anilino]phenyl] prop-2-enoate
CID 58205408
carbonic acid;1,2-dimethyl-3-phenylbenzene
CID 67785413
[4-(4,6-dimethyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl] prop-2-enoate
CID 170034889
[4-[2,5-dimethyl-4-(4-prop-2-enoyloxyphenyl)phenyl]phenoxy]carbonyloxymethyl prop-2-enoate
CID 146177632
(4-dibenzothiophen-1-ylphenyl) prop-2-enoate
CID 160873659
(4-hydroxyphenyl) prop-2-enoate;methoxymethane
CID 67882332
[4-[4-[N-methyl-4-(4-prop-2-enoyloxyphenyl)anilino]phenyl]phenyl] prop-2-enoate
CID 22089909
3-[4-(2,3-dimethylphenyl)phenoxy]propan-1-ol
CID 94271774
[5-(2-methylphenyl)-3-pyridinyl] prop-2-enoate
CID 70279911
4-(2,3-dimethylphenyl)benzaldehyde
CID 53426139
[4-(2,3-dimethylphenyl)phenyl] 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate
CID 10269338
[4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 89212422

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylphenyl)phenyl] prop-2-enoate?
The IUPAC name of [4-(2,3-dimethylphenyl)phenyl] prop-2-enoate (CID 174664238) is [4-(2,3-dimethylphenyl)phenyl] prop-2-enoate.
What is the SMILES notation for [4-(2,3-dimethylphenyl)phenyl] prop-2-enoate?
The canonical SMILES for [4-(2,3-dimethylphenyl)phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(-c2cccc(C)c2C)cc1.
What is the InChIKey of [4-(2,3-dimethylphenyl)phenyl] prop-2-enoate?
The InChIKey is PQNGXACHFWYTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-4-17(18)19-15-10-8-14(9-11-15)16-7-5-6-12(2)13(16)3/h4-11H,1H2,2-3H3.
What are the key properties of [4-(2,3-dimethylphenyl)phenyl] prop-2-enoate?
[4-(2,3-dimethylphenyl)phenyl] prop-2-enoate has a molecular weight of 252.31 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylphenyl)phenyl] prop-2-enoate is sourced from PubChem (CID 174664238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).