(E)-3-(2-naphthalen-2-ylsulfinylphenyl)prop-2-enoate

C19H13O3S- — CID 21198728

IUPAC(E)-3-(2-naphthalen-2-ylsulfinylphenyl)prop-2-enoate
SMILESO=C([O-])/C=C/c1ccccc1S(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H14O3S/c20-19(21)12-10-15-6-3-4-8-18(15)23(22)17-11-9-14-5-1-2-7-16(14)13-17/h1-13H,(H,20,21)/p-1/b12-10+
InChIKeyWENYBNWQJRKHGX-ZRDIBKRKSA-M
MW321.38 g/mol
LogP2.77
Rot. Bonds4

About (E)-3-(2-naphthalen-2-ylsulfinylphenyl)prop-2-enoate

(E)-3-(2-naphthalen-2-ylsulfinylphenyl)prop-2-enoate (PubChem CID 21198728) has the molecular formula C19H13O3S- and a molecular weight of 321.38 g/mol. Its IUPAC name is (E)-3-(2-naphthalen-2-ylsulfinylphenyl)prop-2-enoate.

Molecular Properties

Compound Name(E)-3-(2-naphthalen-2-ylsulfinylphenyl)prop-2-enoate
PubChem CID21198728
Molecular FormulaC19H13O3S-
Molecular Weight321.38 g/mol
Exact Mass321.06
IUPAC Name(E)-3-(2-naphthalen-2-ylsulfinylphenyl)prop-2-enoate
SMILESO=C([O-])/C=C/c1ccccc1S(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H14O3S/c20-19(21)12-10-15-6-3-4-8-18(15)23(22)17-11-9-14-5-1-2-7-16(14)13-17/h1-13H,(H,20,21)/p-1/b12-10+
InChIKeyWENYBNWQJRKHGX-ZRDIBKRKSA-M
XLogP2.77
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

disodium;3-[2-(2-carboxylatoethenyl)phenyl]prop-2-enoate
CID 163359031
molecular hydrogen;naphthalene-2-sulfinic acid;hydrate
CID 145100322
N,N-dimethylnaphthalene-2-sulfinamide
CID 139632027
sodium (E)-3-(2-phenylphenyl)prop-2-enoate
CID 171935641
(E)-3-(2-methoxyquinolin-3-yl)prop-2-enoate
CID 7042099
(E)-3-naphthalen-1-yl-1-naphthalen-2-ylprop-2-en-1-one
CID 6143927
2-(benzenesulfinyl)benzaldehyde
CID 86079855
3-anthracen-1-ylprop-2-enamide
CID 118453469
(E)-3-(2,3-dichlorophenyl)prop-2-enoate
CID 2063719
naphthalen-2-ylsulfinyl formate
CID 174559983
1-methyl-3-naphthalen-2-ylsulfinylpyrrole
CID 154708756
3-tetracen-1-ylprop-2-enamide
CID 118453445

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-naphthalen-2-ylsulfinylphenyl)prop-2-enoate?
The IUPAC name of (E)-3-(2-naphthalen-2-ylsulfinylphenyl)prop-2-enoate (CID 21198728) is (E)-3-(2-naphthalen-2-ylsulfinylphenyl)prop-2-enoate.
What is the SMILES notation for (E)-3-(2-naphthalen-2-ylsulfinylphenyl)prop-2-enoate?
The canonical SMILES for (E)-3-(2-naphthalen-2-ylsulfinylphenyl)prop-2-enoate is O=C([O-])/C=C/c1ccccc1S(=O)c1ccc2ccccc2c1.
What is the InChIKey of (E)-3-(2-naphthalen-2-ylsulfinylphenyl)prop-2-enoate?
The InChIKey is WENYBNWQJRKHGX-ZRDIBKRKSA-M. The full InChI is InChI=1S/C19H14O3S/c20-19(21)12-10-15-6-3-4-8-18(15)23(22)17-11-9-14-5-1-2-7-16(14)13-17/h1-13H,(H,20,21)/p-1/b12-10+.
What are the key properties of (E)-3-(2-naphthalen-2-ylsulfinylphenyl)prop-2-enoate?
(E)-3-(2-naphthalen-2-ylsulfinylphenyl)prop-2-enoate has a molecular weight of 321.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-naphthalen-2-ylsulfinylphenyl)prop-2-enoate is sourced from PubChem (CID 21198728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).