6-ethyl-3-fluoro-4-methoxycyclohexa-2,4-dien-1-ol

C9H13FO2 — CID 89269461

IUPAC6-ethyl-3-fluoro-4-methoxycyclohexa-2,4-dien-1-ol
SMILESCCC1C=C(OC)C(F)=CC1O
InChIInChI=1S/C9H13FO2/c1-3-6-4-9(12-2)7(10)5-8(6)11/h4-6,8,11H,3H2,1-2H3
InChIKeyAHJYMHCXDJEQSF-UHFFFAOYSA-N
MW172.20 g/mol
LogP1.77
Rot. Bonds2

About 6-ethyl-3-fluoro-4-methoxycyclohexa-2,4-dien-1-ol

6-ethyl-3-fluoro-4-methoxycyclohexa-2,4-dien-1-ol (PubChem CID 89269461) has the molecular formula C9H13FO2 and a molecular weight of 172.20 g/mol. Its IUPAC name is 6-ethyl-3-fluoro-4-methoxycyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-ethyl-3-fluoro-4-methoxycyclohexa-2,4-dien-1-ol
PubChem CID89269461
Molecular FormulaC9H13FO2
Molecular Weight172.20 g/mol
Exact Mass172.09
IUPAC Name6-ethyl-3-fluoro-4-methoxycyclohexa-2,4-dien-1-ol
SMILESCCC1C=C(OC)C(F)=CC1O
InChIInChI=1S/C9H13FO2/c1-3-6-4-9(12-2)7(10)5-8(6)11/h4-6,8,11H,3H2,1-2H3
InChIKeyAHJYMHCXDJEQSF-UHFFFAOYSA-N
XLogP1.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-fluoro-4-methoxycyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-ethyl-3-fluoro-4-methoxycyclohexa-2,4-dien-1-ol (CID 89269461) is 6-ethyl-3-fluoro-4-methoxycyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-ethyl-3-fluoro-4-methoxycyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-ethyl-3-fluoro-4-methoxycyclohexa-2,4-dien-1-ol is CCC1C=C(OC)C(F)=CC1O.
What is the InChIKey of 6-ethyl-3-fluoro-4-methoxycyclohexa-2,4-dien-1-ol?
The InChIKey is AHJYMHCXDJEQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO2/c1-3-6-4-9(12-2)7(10)5-8(6)11/h4-6,8,11H,3H2,1-2H3.
What are the key properties of 6-ethyl-3-fluoro-4-methoxycyclohexa-2,4-dien-1-ol?
6-ethyl-3-fluoro-4-methoxycyclohexa-2,4-dien-1-ol has a molecular weight of 172.20 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-fluoro-4-methoxycyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 89269461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).