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

C9H13FO2 — CID 163789143

IUPAC1-(6-fluoro-4-methoxycyclohexa-2,4-dien-1-yl)ethanol
SMILESCOC1=CC(F)C(C(C)O)C=C1
InChIInChI=1S/C9H13FO2/c1-6(11)8-4-3-7(12-2)5-9(8)10/h3-6,8-9,11H,1-2H3
InChIKeyMVEBBECBOYIUKM-UHFFFAOYSA-N
MW172.20 g/mol
LogP1.42
Rot. Bonds2

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

1-(6-fluoro-4-methoxycyclohexa-2,4-dien-1-yl)ethanol (PubChem CID 163789143) has the molecular formula C9H13FO2 and a molecular weight of 172.20 g/mol. Its IUPAC name is 1-(6-fluoro-4-methoxycyclohexa-2,4-dien-1-yl)ethanol.

Molecular Properties

Compound Name1-(6-fluoro-4-methoxycyclohexa-2,4-dien-1-yl)ethanol
PubChem CID163789143
Molecular FormulaC9H13FO2
Molecular Weight172.20 g/mol
Exact Mass172.09
IUPAC Name1-(6-fluoro-4-methoxycyclohexa-2,4-dien-1-yl)ethanol
SMILESCOC1=CC(F)C(C(C)O)C=C1
InChIInChI=1S/C9H13FO2/c1-6(11)8-4-3-7(12-2)5-9(8)10/h3-6,8-9,11H,1-2H3
InChIKeyMVEBBECBOYIUKM-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-4-methoxycyclohexa-2,4-dien-1-yl)ethanol?
The IUPAC name of 1-(6-fluoro-4-methoxycyclohexa-2,4-dien-1-yl)ethanol (CID 163789143) is 1-(6-fluoro-4-methoxycyclohexa-2,4-dien-1-yl)ethanol.
What is the SMILES notation for 1-(6-fluoro-4-methoxycyclohexa-2,4-dien-1-yl)ethanol?
The canonical SMILES for 1-(6-fluoro-4-methoxycyclohexa-2,4-dien-1-yl)ethanol is COC1=CC(F)C(C(C)O)C=C1.
What is the InChIKey of 1-(6-fluoro-4-methoxycyclohexa-2,4-dien-1-yl)ethanol?
The InChIKey is MVEBBECBOYIUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO2/c1-6(11)8-4-3-7(12-2)5-9(8)10/h3-6,8-9,11H,1-2H3.
What are the key properties of 1-(6-fluoro-4-methoxycyclohexa-2,4-dien-1-yl)ethanol?
1-(6-fluoro-4-methoxycyclohexa-2,4-dien-1-yl)ethanol has a molecular weight of 172.20 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-4-methoxycyclohexa-2,4-dien-1-yl)ethanol is sourced from PubChem (CID 163789143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).