[(1R)-4-ethyl-3-fluorocyclohexa-2,4-dien-1-yl]methanol

C9H13FO — CID 89419033

IUPAC[(1R)-4-ethyl-3-fluorocyclohexa-2,4-dien-1-yl]methanol
SMILESCCC1=CC[C@@H](CO)C=C1F
InChIInChI=1S/C9H13FO/c1-2-8-4-3-7(6-11)5-9(8)10/h4-5,7,11H,2-3,6H2,1H3/t7-/m1/s1
InChIKeyOHKLHMUOCRKBSN-SSDOTTSWSA-N
MW156.20 g/mol
LogP2.19
Rot. Bonds2

About [(1R)-4-ethyl-3-fluorocyclohexa-2,4-dien-1-yl]methanol

[(1R)-4-ethyl-3-fluorocyclohexa-2,4-dien-1-yl]methanol (PubChem CID 89419033) has the molecular formula C9H13FO and a molecular weight of 156.20 g/mol. Its IUPAC name is [(1R)-4-ethyl-3-fluorocyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[(1R)-4-ethyl-3-fluorocyclohexa-2,4-dien-1-yl]methanol
PubChem CID89419033
Molecular FormulaC9H13FO
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name[(1R)-4-ethyl-3-fluorocyclohexa-2,4-dien-1-yl]methanol
SMILESCCC1=CC[C@@H](CO)C=C1F
InChIInChI=1S/C9H13FO/c1-2-8-4-3-7(6-11)5-9(8)10/h4-5,7,11H,2-3,6H2,1H3/t7-/m1/s1
InChIKeyOHKLHMUOCRKBSN-SSDOTTSWSA-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

(2R,3E)-5-methyl-2-prop-1-en-2-ylhexa-3,5-dien-1-ol
CID 162915795
Cyclohexa-2,4-dienylmethanol
CID 556313
5-Methyl-2-prop-1-en-2-ylhexa-3,5-dien-1-ol
CID 78385142
p-Difluorobenzene-methanol
CID 69050621
(4E)-3,7-dimethylocta-4,6-dien-1-ol
CID 15267831
Dihydro cuminyl alcohol
CID 56924101
(4E)-2,7-dimethylocta-4,6-dien-1-ol
CID 14865537
(2-Methyl-2,4-cyclohexadien-1-yl)methanol
CID 15174764
2-Cyclohexa-1,5-dien-1-ylethanol
CID 21943307
3,6-Dimethylhept-3-en-1-ol
CID 54436762
(2R)-1-(4-fluorocyclohexa-1,5-dien-1-yl)propan-2-ol
CID 67765367
(4-Fluorocyclohexa-2,4-dien-1-yl)methanol
CID 68029248

Frequently Asked Questions

What is the IUPAC name of [(1R)-4-ethyl-3-fluorocyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of [(1R)-4-ethyl-3-fluorocyclohexa-2,4-dien-1-yl]methanol (CID 89419033) is [(1R)-4-ethyl-3-fluorocyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for [(1R)-4-ethyl-3-fluorocyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for [(1R)-4-ethyl-3-fluorocyclohexa-2,4-dien-1-yl]methanol is CCC1=CC[C@@H](CO)C=C1F.
What is the InChIKey of [(1R)-4-ethyl-3-fluorocyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is OHKLHMUOCRKBSN-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13FO/c1-2-8-4-3-7(6-11)5-9(8)10/h4-5,7,11H,2-3,6H2,1H3/t7-/m1/s1.
What are the key properties of [(1R)-4-ethyl-3-fluorocyclohexa-2,4-dien-1-yl]methanol?
[(1R)-4-ethyl-3-fluorocyclohexa-2,4-dien-1-yl]methanol 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 [(1R)-4-ethyl-3-fluorocyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 89419033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).