(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)methanol

C13H13FO — CID 170991611

IUPAC(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)methanol
SMILESOCC1(F)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C13H13FO/c14-13(10-15)8-6-12(7-9-13)11-4-2-1-3-5-11/h1-8,15H,9-10H2
InChIKeyJXHGROMVTOELLF-UHFFFAOYSA-N
MW204.24 g/mol
LogP2.73
Rot. Bonds2

About (1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)methanol

(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)methanol (PubChem CID 170991611) has the molecular formula C13H13FO and a molecular weight of 204.24 g/mol. Its IUPAC name is (1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)methanol.

Molecular Properties

Compound Name(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)methanol
PubChem CID170991611
Molecular FormulaC13H13FO
Molecular Weight204.24 g/mol
Exact Mass204.10
IUPAC Name(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)methanol
SMILESOCC1(F)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C13H13FO/c14-13(10-15)8-6-12(7-9-13)11-4-2-1-3-5-11/h1-8,15H,9-10H2
InChIKeyJXHGROMVTOELLF-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)methanol?
The IUPAC name of (1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)methanol (CID 170991611) is (1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)methanol.
What is the SMILES notation for (1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)methanol?
The canonical SMILES for (1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)methanol is OCC1(F)C=CC(c2ccccc2)=CC1.
What is the InChIKey of (1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)methanol?
The InChIKey is JXHGROMVTOELLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO/c14-13(10-15)8-6-12(7-9-13)11-4-2-1-3-5-11/h1-8,15H,9-10H2.
What are the key properties of (1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)methanol?
(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)methanol has a molecular weight of 204.24 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)methanol is sourced from PubChem (CID 170991611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).