3-(cyclohexen-1-yloxy)phenol

C12H14O2 — CID 70618908

IUPAC3-(cyclohexen-1-yloxy)phenol
SMILESOc1cccc(OC2=CCCCC2)c1
InChIInChI=1S/C12H14O2/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h4-6,8-9,13H,1-3,7H2
InChIKeyKJISIMMRHCQSHG-UHFFFAOYSA-N
MW190.24 g/mol
LogP3.23
Rot. Bonds2

About 3-(cyclohexen-1-yloxy)phenol

3-(cyclohexen-1-yloxy)phenol (PubChem CID 70618908) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-(cyclohexen-1-yloxy)phenol.

Molecular Properties

Compound Name3-(cyclohexen-1-yloxy)phenol
PubChem CID70618908
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name3-(cyclohexen-1-yloxy)phenol
SMILESOc1cccc(OC2=CCCCC2)c1
InChIInChI=1S/C12H14O2/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h4-6,8-9,13H,1-3,7H2
InChIKeyKJISIMMRHCQSHG-UHFFFAOYSA-N
XLogP3.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yloxy)phenol?
The IUPAC name of 3-(cyclohexen-1-yloxy)phenol (CID 70618908) is 3-(cyclohexen-1-yloxy)phenol.
What is the SMILES notation for 3-(cyclohexen-1-yloxy)phenol?
The canonical SMILES for 3-(cyclohexen-1-yloxy)phenol is Oc1cccc(OC2=CCCCC2)c1.
What is the InChIKey of 3-(cyclohexen-1-yloxy)phenol?
The InChIKey is KJISIMMRHCQSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h4-6,8-9,13H,1-3,7H2.
What are the key properties of 3-(cyclohexen-1-yloxy)phenol?
3-(cyclohexen-1-yloxy)phenol has a molecular weight of 190.24 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yloxy)phenol is sourced from PubChem (CID 70618908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).