(Z)-3-naphthalen-2-yl-2-phenylsulfanylprop-2-enoic acid

C19H14O2S — CID 67638686

IUPAC(Z)-3-naphthalen-2-yl-2-phenylsulfanylprop-2-enoic acid
SMILESO=C(O)/C(=C/c1ccc2ccccc2c1)Sc1ccccc1
InChIInChI=1S/C19H14O2S/c20-19(21)18(22-17-8-2-1-3-9-17)13-14-10-11-15-6-4-5-7-16(15)12-14/h1-13H,(H,20,21)/b18-13-
InChIKeyOTMMPLINUGYUIG-AQTBWJFISA-N
MW306.39 g/mol
LogP5.06
Rot. Bonds4

About (Z)-3-naphthalen-2-yl-2-phenylsulfanylprop-2-enoic acid

(Z)-3-naphthalen-2-yl-2-phenylsulfanylprop-2-enoic acid (PubChem CID 67638686) has the molecular formula C19H14O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is (Z)-3-naphthalen-2-yl-2-phenylsulfanylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-naphthalen-2-yl-2-phenylsulfanylprop-2-enoic acid
PubChem CID67638686
Molecular FormulaC19H14O2S
Molecular Weight306.39 g/mol
Exact Mass306.07
IUPAC Name(Z)-3-naphthalen-2-yl-2-phenylsulfanylprop-2-enoic acid
SMILESO=C(O)/C(=C/c1ccc2ccccc2c1)Sc1ccccc1
InChIInChI=1S/C19H14O2S/c20-19(21)18(22-17-8-2-1-3-9-17)13-14-10-11-15-6-4-5-7-16(15)12-14/h1-13H,(H,20,21)/b18-13-
InChIKeyOTMMPLINUGYUIG-AQTBWJFISA-N
XLogP5.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.39
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(1-methoxynaphthalen-2-yl)-2-phenylsulfanylprop-2-enoic acid
CID 139768030
(Z)-2-(4-hydroxyphenyl)-3-naphthalen-2-ylprop-2-enoic acid
CID 67704998
2-naphthalen-2-ylsulfanyl-2-oxoacetic acid
CID 174985689
trimethyl-(2-naphthalen-2-yl-1-trimethylsilylethenyl)silane
CID 101475469
2-[(E)-2-phenylsulfanylethenyl]naphthalene
CID 122215934
2-(1,2-dinaphthalen-2-ylethenyl)naphthalene
CID 171662067
(E)-1-naphthalen-2-ylprop-1-en-2-amine
CID 20741960
2-(2-bromo-2-fluoroethenyl)naphthalene
CID 71421108
2-(2,2-diphenylethenyl)-6-[2-[6-(2-naphthalen-2-ylethenyl)naphthalen-2-yl]ethenyl]naphthalene
CID 72565680
dibenzyl 2-(naphthalen-2-ylmethylidene)propanedioate
CID 164672547
2-(2,2-diphenylethenyl)anthracene
CID 155667641
N-(naphthalen-2-ylmethylidene)benzamide
CID 101463832

Frequently Asked Questions

What is the IUPAC name of (Z)-3-naphthalen-2-yl-2-phenylsulfanylprop-2-enoic acid?
The IUPAC name of (Z)-3-naphthalen-2-yl-2-phenylsulfanylprop-2-enoic acid (CID 67638686) is (Z)-3-naphthalen-2-yl-2-phenylsulfanylprop-2-enoic acid.
What is the SMILES notation for (Z)-3-naphthalen-2-yl-2-phenylsulfanylprop-2-enoic acid?
The canonical SMILES for (Z)-3-naphthalen-2-yl-2-phenylsulfanylprop-2-enoic acid is O=C(O)/C(=C/c1ccc2ccccc2c1)Sc1ccccc1.
What is the InChIKey of (Z)-3-naphthalen-2-yl-2-phenylsulfanylprop-2-enoic acid?
The InChIKey is OTMMPLINUGYUIG-AQTBWJFISA-N. The full InChI is InChI=1S/C19H14O2S/c20-19(21)18(22-17-8-2-1-3-9-17)13-14-10-11-15-6-4-5-7-16(15)12-14/h1-13H,(H,20,21)/b18-13-.
What are the key properties of (Z)-3-naphthalen-2-yl-2-phenylsulfanylprop-2-enoic acid?
(Z)-3-naphthalen-2-yl-2-phenylsulfanylprop-2-enoic acid has a molecular weight of 306.39 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-naphthalen-2-yl-2-phenylsulfanylprop-2-enoic acid is sourced from PubChem (CID 67638686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).