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

Name: 6-fluoro-6-hydroxy-3-phenylcyclohexa-2,4-diene-1-carboxylic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₁FO₃ — CID 154825090

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	6-fluoro-6-hydroxy-3-phenylcyclohexa-2,4-diene-1-carboxylic acid
PubChem CID	154825090
Molecular Formula	C₁₃H₁₁FO₃
Molecular Weight	234.23 g/mol
Exact Mass	234.07
IUPAC Name	6-fluoro-6-hydroxy-3-phenylcyclohexa-2,4-diene-1-carboxylic acid
SMILES	O=C(O)C1C=C(c2ccccc2)C=CC1(O)F
InChI	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)
InChIKey	ODIKKLVDNAVPCA-UHFFFAOYSA-N
XLogP	2.00
TPSA	57.53 Å²
H-Bond Donors	2
H-Bond Acceptors	2
Rotatable Bonds	2
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	234.23
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

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).

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Sources

PubChem CID 154825090 — identifiers, structure, computed properties (public domain)

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