1-(5-fluoro-6-methylcyclohexa-1,5-dien-1-yl)ethanol

C9H13FO — CID 142019954

IUPAC1-(5-fluoro-6-methylcyclohexa-1,5-dien-1-yl)ethanol
SMILESCC1=C(F)CCC=C1C(C)O
InChIInChI=1S/C9H13FO/c1-6-8(7(2)11)4-3-5-9(6)10/h4,7,11H,3,5H2,1-2H3
InChIKeyKQTLZMXTEXKHFN-UHFFFAOYSA-N
MW156.20 g/mol
LogP2.33
Rot. Bonds1

About 1-(5-fluoro-6-methylcyclohexa-1,5-dien-1-yl)ethanol

1-(5-fluoro-6-methylcyclohexa-1,5-dien-1-yl)ethanol (PubChem CID 142019954) has the molecular formula C9H13FO and a molecular weight of 156.20 g/mol. Its IUPAC name is 1-(5-fluoro-6-methylcyclohexa-1,5-dien-1-yl)ethanol.

Molecular Properties

Compound Name1-(5-fluoro-6-methylcyclohexa-1,5-dien-1-yl)ethanol
PubChem CID142019954
Molecular FormulaC9H13FO
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name1-(5-fluoro-6-methylcyclohexa-1,5-dien-1-yl)ethanol
SMILESCC1=C(F)CCC=C1C(C)O
InChIInChI=1S/C9H13FO/c1-6-8(7(2)11)4-3-5-9(6)10/h4,7,11H,3,5H2,1-2H3
InChIKeyKQTLZMXTEXKHFN-UHFFFAOYSA-N
XLogP2.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-6-methylcyclohexa-1,5-dien-1-yl)ethanol?
The IUPAC name of 1-(5-fluoro-6-methylcyclohexa-1,5-dien-1-yl)ethanol (CID 142019954) is 1-(5-fluoro-6-methylcyclohexa-1,5-dien-1-yl)ethanol.
What is the SMILES notation for 1-(5-fluoro-6-methylcyclohexa-1,5-dien-1-yl)ethanol?
The canonical SMILES for 1-(5-fluoro-6-methylcyclohexa-1,5-dien-1-yl)ethanol is CC1=C(F)CCC=C1C(C)O.
What is the InChIKey of 1-(5-fluoro-6-methylcyclohexa-1,5-dien-1-yl)ethanol?
The InChIKey is KQTLZMXTEXKHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO/c1-6-8(7(2)11)4-3-5-9(6)10/h4,7,11H,3,5H2,1-2H3.
What are the key properties of 1-(5-fluoro-6-methylcyclohexa-1,5-dien-1-yl)ethanol?
1-(5-fluoro-6-methylcyclohexa-1,5-dien-1-yl)ethanol has a molecular weight of 156.20 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-6-methylcyclohexa-1,5-dien-1-yl)ethanol is sourced from PubChem (CID 142019954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).