2-[4-[(Z)-3-(4-phenylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]sulfanylphenoxy]acetic acid

C30H23F3O4S — CID 10030099

IUPAC2-[4-[(Z)-3-(4-phenylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]sulfanylphenoxy]acetic acid
SMILESO=C(O)COc1ccc(SC/C=C(\c2ccc(OC(F)(F)F)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C30H23F3O4S/c31-30(32,33)37-26-12-10-24(11-13-26)28(23-8-6-22(7-9-23)21-4-2-1-3-5-21)18-19-38-27-16-14-25(15-17-27)36-20-29(34)35/h1-18H,19-20H2,(H,34,35)/b28-18-
InChIKeySYANSBKKJQIGQI-VEILYXNESA-N
MW536.57 g/mol
LogP7.94
Rot. Bonds10

About 2-[4-[(Z)-3-(4-phenylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]sulfanylphenoxy]acetic acid

2-[4-[(Z)-3-(4-phenylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]sulfanylphenoxy]acetic acid (PubChem CID 10030099) has the molecular formula C30H23F3O4S and a molecular weight of 536.57 g/mol. Its IUPAC name is 2-[4-[(Z)-3-(4-phenylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]sulfanylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(Z)-3-(4-phenylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]sulfanylphenoxy]acetic acid
PubChem CID10030099
Molecular FormulaC30H23F3O4S
Molecular Weight536.57 g/mol
Exact Mass536.13
IUPAC Name2-[4-[(Z)-3-(4-phenylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]sulfanylphenoxy]acetic acid
SMILESO=C(O)COc1ccc(SC/C=C(\c2ccc(OC(F)(F)F)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C30H23F3O4S/c31-30(32,33)37-26-12-10-24(11-13-26)28(23-8-6-22(7-9-23)21-4-2-1-3-5-21)18-19-38-27-16-14-25(15-17-27)36-20-29(34)35/h1-18H,19-20H2,(H,34,35)/b28-18-
InChIKeySYANSBKKJQIGQI-VEILYXNESA-N
XLogP7.94
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.57
LogP ≤ 57.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(Z)-3-(4-phenylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]sulfanylphenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Seladelpar
CID 11236126
2-(2-Methyl-4-(2-((4-(trifluoromethyl)phenoxy)methyl)butylthio)phenoxy)acetic acid
CID 11418941
(R)-2-(2-methyl-4-(2-((4-(trifluoromethyl)phenoxy)methyl)butylthio)phenoxy)acetic acid
CID 16726113
2-[2-methyl-4-[(1R)-2-phenyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]sulfanylphenoxy]acetic acid
CID 145984841
2-(4-(4-(4-(Trifluoromethyl)benzyloxy)benzylthio)-5-methoxy-2-methylphenoxy)acetic acid
CID 10174350
(2R)-2-[4-[4-(2-benzylthiophen-3-yl)phenyl]phenoxy]-3-phenylpropanoic acid
CID 10553086
2-(4-(2-(Ethoxymethyl)-3-(4-(trifluoromethyl)phenoxy)propylthio)-2-methylphenoxy)acetic acid
CID 11155356
2-(2-Methyl-4-(2-(methylthiomethoxy)-4-(4-(trifluoromethyl)phenyl)butylthio)phenoxy)acetic acid
CID 11190685
2-(4-(2-(Benzyloxy)-3-(4-(trifluoromethyl)phenoxy)propylthio)-2-methylphenoxy)acetic acid
CID 11225910
2-[2-Methyl-4-({2-methylidene-4-[4-(trifluoromethyl)phenyl]butyl}sulfanyl)phenoxy]acetic acid
CID 11246863
2-[4-({3,3-Difluoro-2-[4-(trifluoromethyl)phenoxymethyl]prop-2-en-1-yl}sulfanyl)-2-methylphenoxy]acetic acid
CID 11282309
2-[2-Methyl-4-({3-methyl-2-[4-(trifluoromethyl)phenoxymethyl]but-2-en-1-yl}sulfanyl)phenoxy]acetic acid
CID 11293589

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-3-(4-phenylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]sulfanylphenoxy]acetic acid?
The IUPAC name of 2-[4-[(Z)-3-(4-phenylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]sulfanylphenoxy]acetic acid (CID 10030099) is 2-[4-[(Z)-3-(4-phenylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]sulfanylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(Z)-3-(4-phenylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]sulfanylphenoxy]acetic acid?
The canonical SMILES for 2-[4-[(Z)-3-(4-phenylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]sulfanylphenoxy]acetic acid is O=C(O)COc1ccc(SC/C=C(\c2ccc(OC(F)(F)F)cc2)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-[4-[(Z)-3-(4-phenylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]sulfanylphenoxy]acetic acid?
The InChIKey is SYANSBKKJQIGQI-VEILYXNESA-N. The full InChI is InChI=1S/C30H23F3O4S/c31-30(32,33)37-26-12-10-24(11-13-26)28(23-8-6-22(7-9-23)21-4-2-1-3-5-21)18-19-38-27-16-14-25(15-17-27)36-20-29(34)35/h1-18H,19-20H2,(H,34,35)/b28-18-.
What are the key properties of 2-[4-[(Z)-3-(4-phenylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]sulfanylphenoxy]acetic acid?
2-[4-[(Z)-3-(4-phenylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]sulfanylphenoxy]acetic acid has a molecular weight of 536.57 g/mol, XLogP of 7.94, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-3-(4-phenylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]sulfanylphenoxy]acetic acid is sourced from PubChem (CID 10030099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).