(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)methanol

C8H11FO — CID 89416394

IUPAC(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)methanol
SMILESCC1(F)C=CC(CO)=CC1
InChIInChI=1S/C8H11FO/c1-8(9)4-2-7(6-10)3-5-8/h2-4,10H,5-6H2,1H3
InChIKeyDOXQQNJYHHTZPB-UHFFFAOYSA-N
MW142.17 g/mol
LogP1.59
Rot. Bonds1

About (4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)methanol

(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)methanol (PubChem CID 89416394) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is (4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)methanol
PubChem CID89416394
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)methanol
SMILESCC1(F)C=CC(CO)=CC1
InChIInChI=1S/C8H11FO/c1-8(9)4-2-7(6-10)3-5-8/h2-4,10H,5-6H2,1H3
InChIKeyDOXQQNJYHHTZPB-UHFFFAOYSA-N
XLogP1.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)methanol?
The IUPAC name of (4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)methanol (CID 89416394) is (4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)methanol.
What is the SMILES notation for (4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)methanol?
The canonical SMILES for (4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)methanol is CC1(F)C=CC(CO)=CC1.
What is the InChIKey of (4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)methanol?
The InChIKey is DOXQQNJYHHTZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO/c1-8(9)4-2-7(6-10)3-5-8/h2-4,10H,5-6H2,1H3.
What are the key properties of (4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)methanol?
(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)methanol has a molecular weight of 142.17 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)methanol is sourced from PubChem (CID 89416394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).