(4-phenylphenyl)sulfanyl 2-methylprop-2-enoate

C16H14O2S — CID 139698349

IUPAC(4-phenylphenyl)sulfanyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OSc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H14O2S/c1-12(2)16(17)18-19-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,1H2,2H3
InChIKeyXCCWLZSJQNTHEG-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.48
Rot. Bonds4

About (4-phenylphenyl)sulfanyl 2-methylprop-2-enoate

(4-phenylphenyl)sulfanyl 2-methylprop-2-enoate (PubChem CID 139698349) has the molecular formula C16H14O2S and a molecular weight of 270.35 g/mol. Its IUPAC name is (4-phenylphenyl)sulfanyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(4-phenylphenyl)sulfanyl 2-methylprop-2-enoate
PubChem CID139698349
Molecular FormulaC16H14O2S
Molecular Weight270.35 g/mol
Exact Mass270.07
IUPAC Name(4-phenylphenyl)sulfanyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OSc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H14O2S/c1-12(2)16(17)18-19-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,1H2,2H3
InChIKeyXCCWLZSJQNTHEG-UHFFFAOYSA-N
XLogP4.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-phenylphenyl)sulfanyl 2-methylidenedecanoate
CID 175054241
methyl 2-methylprop-2-enoate;phenylsulfanylbenzene
CID 174614138
1-(4-phenylphenoxy)ethyl 2-methylprop-2-enoate
CID 19828999
[2-[2-(2-methylprop-2-enoyloxy)-2,2-diphenylethoxy]-1,1-diphenylethyl] 2-methylprop-2-enoate
CID 174279576
[4-[4-(2-methylprop-2-enoyloxymethyl)-N-(4-phenylphenyl)anilino]phenyl]methyl 2-methylprop-2-enoate
CID 59832811
acetic acid;1,1'-biphenyl;ethane
CID 91464981
acetic acid;1,1'-biphenyl;zinc
CID 70522083
[4-[4-[N-[4-[4-[N-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl] 2-methylprop-2-enoate
CID 58520075
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
acetic acid;trityl 2-methylprop-2-enoate
CID 174941434
[2-[4-(hydroxymethyl)phenyl]-5-phenylphenyl] 2-methylprop-2-enoate
CID 134198380
(10-phenylanthracen-9-yl)methyl 2-methylprop-2-enoate
CID 71414129

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)sulfanyl 2-methylprop-2-enoate?
The IUPAC name of (4-phenylphenyl)sulfanyl 2-methylprop-2-enoate (CID 139698349) is (4-phenylphenyl)sulfanyl 2-methylprop-2-enoate.
What is the SMILES notation for (4-phenylphenyl)sulfanyl 2-methylprop-2-enoate?
The canonical SMILES for (4-phenylphenyl)sulfanyl 2-methylprop-2-enoate is C=C(C)C(=O)OSc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-phenylphenyl)sulfanyl 2-methylprop-2-enoate?
The InChIKey is XCCWLZSJQNTHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2S/c1-12(2)16(17)18-19-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,1H2,2H3.
What are the key properties of (4-phenylphenyl)sulfanyl 2-methylprop-2-enoate?
(4-phenylphenyl)sulfanyl 2-methylprop-2-enoate has a molecular weight of 270.35 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)sulfanyl 2-methylprop-2-enoate is sourced from PubChem (CID 139698349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).