2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethanol

C9H13FO — CID 123677277

IUPAC2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethanol
SMILESCC1CC(F)=CC=C1CCO
InChIInChI=1S/C9H13FO/c1-7-6-9(10)3-2-8(7)4-5-11/h2-3,7,11H,4-6H2,1H3
InChIKeyRUVWKPBNGFJGFJ-UHFFFAOYSA-N
MW156.20 g/mol
LogP2.19
Rot. Bonds2

About 2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethanol

2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethanol (PubChem CID 123677277) has the molecular formula C9H13FO and a molecular weight of 156.20 g/mol. Its IUPAC name is 2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethanol
PubChem CID123677277
Molecular FormulaC9H13FO
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethanol
SMILESCC1CC(F)=CC=C1CCO
InChIInChI=1S/C9H13FO/c1-7-6-9(10)3-2-8(7)4-5-11/h2-3,7,11H,4-6H2,1H3
InChIKeyRUVWKPBNGFJGFJ-UHFFFAOYSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Citronellol
CID 8842
Beta-citronellol, (S)-
CID 7793
beta-CITRONELLOL, (R)-
CID 101977
6,10-Dodecadien-1-ol, 3,7,11-trimethyl-
CID 439223
3,7-Dimethylnon-6-en-1-ol
CID 544330
2,4,7-Trimethyloct-6-en-1-ol
CID 126505187
Dihydrofarnesol
CID 5280341
2,3-Dihydrofarnesol
CID 15584898
3S,7,11-Trimethyl-6E,10-dodecadien-1-ol
CID 11160445
(3R,6E)-3,7,11-trimethyldodeca-6,10-dien-1-ol
CID 76971208
2-Cyclohexa-1,3-dien-1-yl-4-methylpentan-1-ol
CID 163195778
(s)-(-)-2,3-Dihydrofarnesol
CID 88025115

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethanol?
The IUPAC name of 2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethanol (CID 123677277) is 2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethanol.
What is the SMILES notation for 2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethanol?
The canonical SMILES for 2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethanol is CC1CC(F)=CC=C1CCO.
What is the InChIKey of 2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethanol?
The InChIKey is RUVWKPBNGFJGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO/c1-7-6-9(10)3-2-8(7)4-5-11/h2-3,7,11H,4-6H2,1H3.
What are the key properties of 2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethanol?
2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethanol has a molecular weight of 156.20 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethanol is sourced from PubChem (CID 123677277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).