(3-phenyl-2-sulfanylphenyl) 2-methylprop-2-enoate

C16H14O2S — CID 139613270

IUPAC(3-phenyl-2-sulfanylphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cccc(-c2ccccc2)c1S
InChIInChI=1S/C16H14O2S/c1-11(2)16(17)18-14-10-6-9-13(15(14)19)12-7-4-3-5-8-12/h3-10,19H,1H2,2H3
InChIKeyUIOGJLSKAQDDHW-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.12
Rot. Bonds3

About (3-phenyl-2-sulfanylphenyl) 2-methylprop-2-enoate

(3-phenyl-2-sulfanylphenyl) 2-methylprop-2-enoate (PubChem CID 139613270) has the molecular formula C16H14O2S and a molecular weight of 270.35 g/mol. Its IUPAC name is (3-phenyl-2-sulfanylphenyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(3-phenyl-2-sulfanylphenyl) 2-methylprop-2-enoate
PubChem CID139613270
Molecular FormulaC16H14O2S
Molecular Weight270.35 g/mol
Exact Mass270.07
IUPAC Name(3-phenyl-2-sulfanylphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cccc(-c2ccccc2)c1S
InChIInChI=1S/C16H14O2S/c1-11(2)16(17)18-14-10-6-9-13(15(14)19)12-7-4-3-5-8-12/h3-10,19H,1H2,2H3
InChIKeyUIOGJLSKAQDDHW-UHFFFAOYSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2-acetylphenyl) 2-methylprop-2-enoate
CID 19877902
6-(2-phenylphenoxy)carbonyloxyhexyl 2-methylprop-2-enoate
CID 171768489
1-(2-methylprop-2-enoyloxy)-9H-fluorene-9-carboxylic acid
CID 123912844
[2-[4-(hydroxymethyl)phenyl]-5-phenylphenyl] 2-methylprop-2-enoate
CID 134198380
[2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 162511991
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
(2-chloro-3-phenylphenyl) 2-chloroprop-2-enoate
CID 88746551
(2-ethenylphenyl) 2-methylprop-2-enoate
CID 19607397
4-[4-(2-phenylphenoxy)butoxy]butyl 2-methylprop-2-enoate
CID 139671734
[4-[1-[4-(2-methylprop-2-enoyloxy)-3-phenylphenyl]-1-(4-phenylphenyl)ethyl]-2-phenylphenyl] 2-methylprop-2-enoate
CID 135225860
2-amino-3-(2-methylprop-2-enoyloxy)benzoic acid
CID 23083813
(2,3-dimethylazulen-1-yl) 2-methylprop-2-enoate
CID 164546738

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-2-sulfanylphenyl) 2-methylprop-2-enoate?
The IUPAC name of (3-phenyl-2-sulfanylphenyl) 2-methylprop-2-enoate (CID 139613270) is (3-phenyl-2-sulfanylphenyl) 2-methylprop-2-enoate.
What is the SMILES notation for (3-phenyl-2-sulfanylphenyl) 2-methylprop-2-enoate?
The canonical SMILES for (3-phenyl-2-sulfanylphenyl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1cccc(-c2ccccc2)c1S.
What is the InChIKey of (3-phenyl-2-sulfanylphenyl) 2-methylprop-2-enoate?
The InChIKey is UIOGJLSKAQDDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2S/c1-11(2)16(17)18-14-10-6-9-13(15(14)19)12-7-4-3-5-8-12/h3-10,19H,1H2,2H3.
What are the key properties of (3-phenyl-2-sulfanylphenyl) 2-methylprop-2-enoate?
(3-phenyl-2-sulfanylphenyl) 2-methylprop-2-enoate has a molecular weight of 270.35 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-2-sulfanylphenyl) 2-methylprop-2-enoate is sourced from PubChem (CID 139613270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).