2-(4-methoxycyclohex-3-en-1-yl)ethanol

C9H16O2 — CID 19370217

IUPAC2-(4-methoxycyclohex-3-en-1-yl)ethanol
SMILESCOC1=CCC(CCO)CC1
InChIInChI=1S/C9H16O2/c1-11-9-4-2-8(3-5-9)6-7-10/h4,8,10H,2-3,5-7H2,1H3
InChIKeyLYSNQXPFYSFPCA-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.70
Rot. Bonds3

About 2-(4-methoxycyclohex-3-en-1-yl)ethanol

2-(4-methoxycyclohex-3-en-1-yl)ethanol (PubChem CID 19370217) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-(4-methoxycyclohex-3-en-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-methoxycyclohex-3-en-1-yl)ethanol
PubChem CID19370217
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-(4-methoxycyclohex-3-en-1-yl)ethanol
SMILESCOC1=CCC(CCO)CC1
InChIInChI=1S/C9H16O2/c1-11-9-4-2-8(3-5-9)6-7-10/h4,8,10H,2-3,5-7H2,1H3
InChIKeyLYSNQXPFYSFPCA-UHFFFAOYSA-N
XLogP1.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxycyclohex-3-en-1-yl)ethanol?
The IUPAC name of 2-(4-methoxycyclohex-3-en-1-yl)ethanol (CID 19370217) is 2-(4-methoxycyclohex-3-en-1-yl)ethanol.
What is the SMILES notation for 2-(4-methoxycyclohex-3-en-1-yl)ethanol?
The canonical SMILES for 2-(4-methoxycyclohex-3-en-1-yl)ethanol is COC1=CCC(CCO)CC1.
What is the InChIKey of 2-(4-methoxycyclohex-3-en-1-yl)ethanol?
The InChIKey is LYSNQXPFYSFPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-11-9-4-2-8(3-5-9)6-7-10/h4,8,10H,2-3,5-7H2,1H3.
What are the key properties of 2-(4-methoxycyclohex-3-en-1-yl)ethanol?
2-(4-methoxycyclohex-3-en-1-yl)ethanol has a molecular weight of 156.22 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxycyclohex-3-en-1-yl)ethanol is sourced from PubChem (CID 19370217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).