4-fluoro-3-methoxycyclohexa-1,3-dien-1-ol

C7H9FO2 — CID 166815640

IUPAC4-fluoro-3-methoxycyclohexa-1,3-dien-1-ol
SMILESCOC1=C(F)CCC(O)=C1
InChIInChI=1S/C7H9FO2/c1-10-7-4-5(9)2-3-6(7)8/h4,9H,2-3H2,1H3
InChIKeyFEGWYWWCKTZGDL-UHFFFAOYSA-N
MW144.15 g/mol
LogP2.05
Rot. Bonds1

About 4-fluoro-3-methoxycyclohexa-1,3-dien-1-ol

4-fluoro-3-methoxycyclohexa-1,3-dien-1-ol (PubChem CID 166815640) has the molecular formula C7H9FO2 and a molecular weight of 144.15 g/mol. Its IUPAC name is 4-fluoro-3-methoxycyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-fluoro-3-methoxycyclohexa-1,3-dien-1-ol
PubChem CID166815640
Molecular FormulaC7H9FO2
Molecular Weight144.15 g/mol
Exact Mass144.06
IUPAC Name4-fluoro-3-methoxycyclohexa-1,3-dien-1-ol
SMILESCOC1=C(F)CCC(O)=C1
InChIInChI=1S/C7H9FO2/c1-10-7-4-5(9)2-3-6(7)8/h4,9H,2-3H2,1H3
InChIKeyFEGWYWWCKTZGDL-UHFFFAOYSA-N
XLogP2.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Fluoro-2-methoxycyclohexa-1,3-diene
CID 22754812
2, 5-Difluoro-2-methoxy-3-hydroxybenzene
CID 67745008
5-Fluoro-2-methoxycyclohexa-1,3-diene
CID 89099261
3-Methoxy-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 123200906
6-Fluoro-2-methoxycyclohexa-1,3-diene
CID 123802345
1-Fluoro-3-methoxycyclohexa-1,3-diene
CID 123934654
2-Fluoro-3-methoxycyclohexa-1,3-diene
CID 143818758
3-(Difluoromethoxy)-5-methylcyclohexa-1,3-dien-1-ol
CID 145513411
5-Fluoro-1,3,5-trimethoxycyclohexa-1,3-diene
CID 150075433
4-Fluoro-2-methoxycyclohexa-1,3-dien-1-ol
CID 153377828
1,4-Difluoro-2-methoxycyclohexa-1,3-diene
CID 164001395
4-Fluoro-1,2-dimethoxycyclohexa-1,3-diene
CID 173712571

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxycyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-fluoro-3-methoxycyclohexa-1,3-dien-1-ol (CID 166815640) is 4-fluoro-3-methoxycyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-fluoro-3-methoxycyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-fluoro-3-methoxycyclohexa-1,3-dien-1-ol is COC1=C(F)CCC(O)=C1.
What is the InChIKey of 4-fluoro-3-methoxycyclohexa-1,3-dien-1-ol?
The InChIKey is FEGWYWWCKTZGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO2/c1-10-7-4-5(9)2-3-6(7)8/h4,9H,2-3H2,1H3.
What are the key properties of 4-fluoro-3-methoxycyclohexa-1,3-dien-1-ol?
4-fluoro-3-methoxycyclohexa-1,3-dien-1-ol has a molecular weight of 144.15 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxycyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 166815640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).