1-fluoro-5-phenylcyclohexa-2,4-dien-1-ol

C12H11FO — CID 69324164

IUPAC1-fluoro-5-phenylcyclohexa-2,4-dien-1-ol
SMILESOC1(F)C=CC=C(c2ccccc2)C1
InChIInChI=1S/C12H11FO/c13-12(14)8-4-7-11(9-12)10-5-2-1-3-6-10/h1-8,14H,9H2
InChIKeyNCROFHFWXVEDPB-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.69
Rot. Bonds1

About 1-fluoro-5-phenylcyclohexa-2,4-dien-1-ol

1-fluoro-5-phenylcyclohexa-2,4-dien-1-ol (PubChem CID 69324164) has the molecular formula C12H11FO and a molecular weight of 190.22 g/mol. Its IUPAC name is 1-fluoro-5-phenylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-fluoro-5-phenylcyclohexa-2,4-dien-1-ol
PubChem CID69324164
Molecular FormulaC12H11FO
Molecular Weight190.22 g/mol
Exact Mass190.08
IUPAC Name1-fluoro-5-phenylcyclohexa-2,4-dien-1-ol
SMILESOC1(F)C=CC=C(c2ccccc2)C1
InChIInChI=1S/C12H11FO/c13-12(14)8-4-7-11(9-12)10-5-2-1-3-6-10/h1-8,14H,9H2
InChIKeyNCROFHFWXVEDPB-UHFFFAOYSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-phenylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-fluoro-5-phenylcyclohexa-2,4-dien-1-ol (CID 69324164) is 1-fluoro-5-phenylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-fluoro-5-phenylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-fluoro-5-phenylcyclohexa-2,4-dien-1-ol is OC1(F)C=CC=C(c2ccccc2)C1.
What is the InChIKey of 1-fluoro-5-phenylcyclohexa-2,4-dien-1-ol?
The InChIKey is NCROFHFWXVEDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO/c13-12(14)8-4-7-11(9-12)10-5-2-1-3-6-10/h1-8,14H,9H2.
What are the key properties of 1-fluoro-5-phenylcyclohexa-2,4-dien-1-ol?
1-fluoro-5-phenylcyclohexa-2,4-dien-1-ol has a molecular weight of 190.22 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-phenylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 69324164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).