6-fluoro-6-hydroxy-3-phenylcyclohexa-2,4-diene-1-carboxylic acid

C13H11FO3 — CID 154825090

IUPAC6-fluoro-6-hydroxy-3-phenylcyclohexa-2,4-diene-1-carboxylic acid
SMILESO=C(O)C1C=C(c2ccccc2)C=CC1(O)F
InChIInChI=1S/C13H11FO3/c14-13(17)7-6-10(8-11(13)12(15)16)9-4-2-1-3-5-9/h1-8,11,17H,(H,15,16)
InChIKeyODIKKLVDNAVPCA-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.00
Rot. Bonds2

About 6-fluoro-6-hydroxy-3-phenylcyclohexa-2,4-diene-1-carboxylic acid

6-fluoro-6-hydroxy-3-phenylcyclohexa-2,4-diene-1-carboxylic acid (PubChem CID 154825090) has the molecular formula C13H11FO3 and a molecular weight of 234.23 g/mol. Its IUPAC name is 6-fluoro-6-hydroxy-3-phenylcyclohexa-2,4-diene-1-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-6-hydroxy-3-phenylcyclohexa-2,4-diene-1-carboxylic acid
PubChem CID154825090
Molecular FormulaC13H11FO3
Molecular Weight234.23 g/mol
Exact Mass234.07
IUPAC Name6-fluoro-6-hydroxy-3-phenylcyclohexa-2,4-diene-1-carboxylic acid
SMILESO=C(O)C1C=C(c2ccccc2)C=CC1(O)F
InChIInChI=1S/C13H11FO3/c14-13(17)7-6-10(8-11(13)12(15)16)9-4-2-1-3-5-9/h1-8,11,17H,(H,15,16)
InChIKeyODIKKLVDNAVPCA-UHFFFAOYSA-N
XLogP2.00
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-hydroxy-3-phenyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid
CID 174490468
6,6-diamino-3-(3-carboxyphenyl)cyclohexa-2,4-diene-1-carboxylic acid
CID 70193751
6-hydroxy-3-phenyl-6-(pyridin-2-ylsulfamoyl)cyclohexa-2,4-diene-1-carboxylic acid
CID 175508520
6-chloro-1-methyl-4-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 170991470
6-chloro-4-phenylcyclohexa-2,4-diene-1,1-dicarboxylic acid
CID 126737103
methyl 1-fluoro-4-phenyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylate
CID 170991837
2-(6-chloro-6-methyl-3-phenylcyclohexa-2,4-dien-1-yl)acetic acid
CID 174698946
1-ethyl-6-methyl-4-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 175370493
1,6-difluoro-6-methyl-4-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 170991641
6,6-diamino-3-phenylcyclohexa-2,4-diene-1-thiol
CID 88638911
6-bromo-1-methoxy-4-phenylcyclohexa-2,4-dien-1-ol
CID 142666137
1-amino-4-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 56924481

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6-hydroxy-3-phenylcyclohexa-2,4-diene-1-carboxylic acid?
The IUPAC name of 6-fluoro-6-hydroxy-3-phenylcyclohexa-2,4-diene-1-carboxylic acid (CID 154825090) is 6-fluoro-6-hydroxy-3-phenylcyclohexa-2,4-diene-1-carboxylic acid.
What is the SMILES notation for 6-fluoro-6-hydroxy-3-phenylcyclohexa-2,4-diene-1-carboxylic acid?
The canonical SMILES for 6-fluoro-6-hydroxy-3-phenylcyclohexa-2,4-diene-1-carboxylic acid is O=C(O)C1C=C(c2ccccc2)C=CC1(O)F.
What is the InChIKey of 6-fluoro-6-hydroxy-3-phenylcyclohexa-2,4-diene-1-carboxylic acid?
The InChIKey is ODIKKLVDNAVPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO3/c14-13(17)7-6-10(8-11(13)12(15)16)9-4-2-1-3-5-9/h1-8,11,17H,(H,15,16).
What are the key properties of 6-fluoro-6-hydroxy-3-phenylcyclohexa-2,4-diene-1-carboxylic acid?
6-fluoro-6-hydroxy-3-phenylcyclohexa-2,4-diene-1-carboxylic acid has a molecular weight of 234.23 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-hydroxy-3-phenylcyclohexa-2,4-diene-1-carboxylic acid is sourced from PubChem (CID 154825090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).