4-[1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride

C14H21ClO2 — CID 67641722

IUPAC4-[1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride
SMILESCC(c1ccc(O)cc1)C1(O)CCCCC1.Cl
InChIInChI=1S/C14H20O2.ClH/c1-11(12-5-7-13(15)8-6-12)14(16)9-3-2-4-10-14;/h5-8,11,15-16H,2-4,9-10H2,1H3;1H
InChIKeyWWJRWTYXIPRMRH-UHFFFAOYSA-N
MW256.77 g/mol
LogP3.61
Rot. Bonds2

About 4-[1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride

4-[1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride (PubChem CID 67641722) has the molecular formula C14H21ClO2 and a molecular weight of 256.77 g/mol. Its IUPAC name is 4-[1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride
PubChem CID67641722
Molecular FormulaC14H21ClO2
Molecular Weight256.77 g/mol
Exact Mass256.12
IUPAC Name4-[1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride
SMILESCC(c1ccc(O)cc1)C1(O)CCCCC1.Cl
InChIInChI=1S/C14H20O2.ClH/c1-11(12-5-7-13(15)8-6-12)14(16)9-3-2-4-10-14;/h5-8,11,15-16H,2-4,9-10H2,1H3;1H
InChIKeyWWJRWTYXIPRMRH-UHFFFAOYSA-N
XLogP3.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.77
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride?
The IUPAC name of 4-[1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride (CID 67641722) is 4-[1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride.
What is the SMILES notation for 4-[1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride?
The canonical SMILES for 4-[1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride is CC(c1ccc(O)cc1)C1(O)CCCCC1.Cl.
What is the InChIKey of 4-[1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride?
The InChIKey is WWJRWTYXIPRMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2.ClH/c1-11(12-5-7-13(15)8-6-12)14(16)9-3-2-4-10-14;/h5-8,11,15-16H,2-4,9-10H2,1H3;1H.
What are the key properties of 4-[1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride?
4-[1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride has a molecular weight of 256.77 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride is sourced from PubChem (CID 67641722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).