2-(5-fluoro-2-methoxycyclohexa-2,4-dien-1-yl)ethanol

C9H13FO2 — CID 163596927

IUPAC2-(5-fluoro-2-methoxycyclohexa-2,4-dien-1-yl)ethanol
SMILESCOC1=CC=C(F)CC1CCO
InChIInChI=1S/C9H13FO2/c1-12-9-3-2-8(10)6-7(9)4-5-11/h2-3,7,11H,4-6H2,1H3
InChIKeyGUFWENFCVDPKJG-UHFFFAOYSA-N
MW172.20 g/mol
LogP1.77
Rot. Bonds3

About 2-(5-fluoro-2-methoxycyclohexa-2,4-dien-1-yl)ethanol

2-(5-fluoro-2-methoxycyclohexa-2,4-dien-1-yl)ethanol (PubChem CID 163596927) has the molecular formula C9H13FO2 and a molecular weight of 172.20 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxycyclohexa-2,4-dien-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxycyclohexa-2,4-dien-1-yl)ethanol
PubChem CID163596927
Molecular FormulaC9H13FO2
Molecular Weight172.20 g/mol
Exact Mass172.09
IUPAC Name2-(5-fluoro-2-methoxycyclohexa-2,4-dien-1-yl)ethanol
SMILESCOC1=CC=C(F)CC1CCO
InChIInChI=1S/C9H13FO2/c1-12-9-3-2-8(10)6-7(9)4-5-11/h2-3,7,11H,4-6H2,1H3
InChIKeyGUFWENFCVDPKJG-UHFFFAOYSA-N
XLogP1.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 2-(5-fluoro-2-methoxycyclohexa-2,4-dien-1-yl)ethanol?
The IUPAC name of 2-(5-fluoro-2-methoxycyclohexa-2,4-dien-1-yl)ethanol (CID 163596927) is 2-(5-fluoro-2-methoxycyclohexa-2,4-dien-1-yl)ethanol.
What is the SMILES notation for 2-(5-fluoro-2-methoxycyclohexa-2,4-dien-1-yl)ethanol?
The canonical SMILES for 2-(5-fluoro-2-methoxycyclohexa-2,4-dien-1-yl)ethanol is COC1=CC=C(F)CC1CCO.
What is the InChIKey of 2-(5-fluoro-2-methoxycyclohexa-2,4-dien-1-yl)ethanol?
The InChIKey is GUFWENFCVDPKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO2/c1-12-9-3-2-8(10)6-7(9)4-5-11/h2-3,7,11H,4-6H2,1H3.
What are the key properties of 2-(5-fluoro-2-methoxycyclohexa-2,4-dien-1-yl)ethanol?
2-(5-fluoro-2-methoxycyclohexa-2,4-dien-1-yl)ethanol has a molecular weight of 172.20 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxycyclohexa-2,4-dien-1-yl)ethanol is sourced from PubChem (CID 163596927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).