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

C9H14O2 — CID 122434469

IUPAC2-(5-methoxycyclohexa-1,5-dien-1-yl)ethanol
SMILESCOC1=CC(CCO)=CCC1
InChIInChI=1S/C9H14O2/c1-11-9-4-2-3-8(7-9)5-6-10/h3,7,10H,2,4-6H2,1H3
InChIKeyANYHVTXAXJALJM-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.62
Rot. Bonds3

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

2-(5-methoxycyclohexa-1,5-dien-1-yl)ethanol (PubChem CID 122434469) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(5-methoxycyclohexa-1,5-dien-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-methoxycyclohexa-1,5-dien-1-yl)ethanol
PubChem CID122434469
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-(5-methoxycyclohexa-1,5-dien-1-yl)ethanol
SMILESCOC1=CC(CCO)=CCC1
InChIInChI=1S/C9H14O2/c1-11-9-4-2-3-8(7-9)5-6-10/h3,7,10H,2,4-6H2,1H3
InChIKeyANYHVTXAXJALJM-UHFFFAOYSA-N
XLogP1.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxycyclohexa-1,5-dien-1-yl)ethanol?
The IUPAC name of 2-(5-methoxycyclohexa-1,5-dien-1-yl)ethanol (CID 122434469) is 2-(5-methoxycyclohexa-1,5-dien-1-yl)ethanol.
What is the SMILES notation for 2-(5-methoxycyclohexa-1,5-dien-1-yl)ethanol?
The canonical SMILES for 2-(5-methoxycyclohexa-1,5-dien-1-yl)ethanol is COC1=CC(CCO)=CCC1.
What is the InChIKey of 2-(5-methoxycyclohexa-1,5-dien-1-yl)ethanol?
The InChIKey is ANYHVTXAXJALJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-11-9-4-2-3-8(7-9)5-6-10/h3,7,10H,2,4-6H2,1H3.
What are the key properties of 2-(5-methoxycyclohexa-1,5-dien-1-yl)ethanol?
2-(5-methoxycyclohexa-1,5-dien-1-yl)ethanol has a molecular weight of 154.21 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxycyclohexa-1,5-dien-1-yl)ethanol is sourced from PubChem (CID 122434469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).