4-[1-(1-hydroxyethoxy)cyclohexyl]phenol

C14H20O3 — CID 169012968

IUPAC4-[1-(1-hydroxyethoxy)cyclohexyl]phenol
SMILESCC(O)OC1(c2ccc(O)cc2)CCCCC1
InChIInChI=1S/C14H20O3/c1-11(15)17-14(9-3-2-4-10-14)12-5-7-13(16)8-6-12/h5-8,11,15-16H,2-4,9-10H2,1H3
InChIKeyRGXURMVMRRKRSL-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.91
Rot. Bonds3

About 4-[1-(1-hydroxyethoxy)cyclohexyl]phenol

4-[1-(1-hydroxyethoxy)cyclohexyl]phenol (PubChem CID 169012968) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-[1-(1-hydroxyethoxy)cyclohexyl]phenol.

Molecular Properties

Compound Name4-[1-(1-hydroxyethoxy)cyclohexyl]phenol
PubChem CID169012968
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name4-[1-(1-hydroxyethoxy)cyclohexyl]phenol
SMILESCC(O)OC1(c2ccc(O)cc2)CCCCC1
InChIInChI=1S/C14H20O3/c1-11(15)17-14(9-3-2-4-10-14)12-5-7-13(16)8-6-12/h5-8,11,15-16H,2-4,9-10H2,1H3
InChIKeyRGXURMVMRRKRSL-UHFFFAOYSA-N
XLogP2.91
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-hydroxyethoxy)cyclohexyl]phenol?
The IUPAC name of 4-[1-(1-hydroxyethoxy)cyclohexyl]phenol (CID 169012968) is 4-[1-(1-hydroxyethoxy)cyclohexyl]phenol.
What is the SMILES notation for 4-[1-(1-hydroxyethoxy)cyclohexyl]phenol?
The canonical SMILES for 4-[1-(1-hydroxyethoxy)cyclohexyl]phenol is CC(O)OC1(c2ccc(O)cc2)CCCCC1.
What is the InChIKey of 4-[1-(1-hydroxyethoxy)cyclohexyl]phenol?
The InChIKey is RGXURMVMRRKRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-11(15)17-14(9-3-2-4-10-14)12-5-7-13(16)8-6-12/h5-8,11,15-16H,2-4,9-10H2,1H3.
What are the key properties of 4-[1-(1-hydroxyethoxy)cyclohexyl]phenol?
4-[1-(1-hydroxyethoxy)cyclohexyl]phenol has a molecular weight of 236.31 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-hydroxyethoxy)cyclohexyl]phenol is sourced from PubChem (CID 169012968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).