6-ethyl-2-fluoro-5-methylcyclohexa-1,3-dien-1-ol

C9H13FO — CID 70355498

IUPAC6-ethyl-2-fluoro-5-methylcyclohexa-1,3-dien-1-ol
SMILESCCC1C(O)=C(F)C=CC1C
InChIInChI=1S/C9H13FO/c1-3-7-6(2)4-5-8(10)9(7)11/h4-7,11H,3H2,1-2H3
InChIKeyABFYZWVMLVHSHX-UHFFFAOYSA-N
MW156.20 g/mol
LogP2.96
Rot. Bonds1

About 6-ethyl-2-fluoro-5-methylcyclohexa-1,3-dien-1-ol

6-ethyl-2-fluoro-5-methylcyclohexa-1,3-dien-1-ol (PubChem CID 70355498) has the molecular formula C9H13FO and a molecular weight of 156.20 g/mol. Its IUPAC name is 6-ethyl-2-fluoro-5-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-ethyl-2-fluoro-5-methylcyclohexa-1,3-dien-1-ol
PubChem CID70355498
Molecular FormulaC9H13FO
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name6-ethyl-2-fluoro-5-methylcyclohexa-1,3-dien-1-ol
SMILESCCC1C(O)=C(F)C=CC1C
InChIInChI=1S/C9H13FO/c1-3-7-6(2)4-5-8(10)9(7)11/h4-7,11H,3H2,1-2H3
InChIKeyABFYZWVMLVHSHX-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Npc14594
CID 519323
2-[(1R)-4-methylcyclohexa-2,4-dien-1-yl]propan-2-ol
CID 13965283
2-[(1S)-4-methylcyclohexa-2,4-dien-1-yl]propan-2-ol
CID 13965282
2-t-Butyl cresol
CID 22372344
2,6-Di-t-butylcresol
CID 66637192
2,6-Diisopropyl cresol
CID 70389744
5,6-Ditert-butyl-5-fluorocyclohexa-1,3-dien-1-ol
CID 117898984
(3S)-3-cyclohexa-1,5-dien-1-yl-4-fluoro-3,4-dimethylpent-1-en-2-ol
CID 122496232
1,1,1,3,3,3-Hexafluoro-2-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-ol
CID 123705072
3-Fluoro-5-propan-2-ylcyclohexa-1,3-dien-1-ol
CID 130306838
2-Fluoro-1-methoxy-5-propan-2-ylcyclohexa-1,3-diene
CID 134454696
4-(2-Fluoropropan-2-yl)-2-methylcyclohexa-1,5-dien-1-ol
CID 138514206

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-fluoro-5-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 6-ethyl-2-fluoro-5-methylcyclohexa-1,3-dien-1-ol (CID 70355498) is 6-ethyl-2-fluoro-5-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-ethyl-2-fluoro-5-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-ethyl-2-fluoro-5-methylcyclohexa-1,3-dien-1-ol is CCC1C(O)=C(F)C=CC1C.
What is the InChIKey of 6-ethyl-2-fluoro-5-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is ABFYZWVMLVHSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO/c1-3-7-6(2)4-5-8(10)9(7)11/h4-7,11H,3H2,1-2H3.
What are the key properties of 6-ethyl-2-fluoro-5-methylcyclohexa-1,3-dien-1-ol?
6-ethyl-2-fluoro-5-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 156.20 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-fluoro-5-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 70355498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).