4-[2-(1-methylcyclohexyl)oxypropyl]phenol

C16H24O2 — CID 67182172

IUPAC4-[2-(1-methylcyclohexyl)oxypropyl]phenol
SMILESCC(Cc1ccc(O)cc1)OC1(C)CCCCC1
InChIInChI=1S/C16H24O2/c1-13(12-14-6-8-15(17)9-7-14)18-16(2)10-4-3-5-11-16/h6-9,13,17H,3-5,10-12H2,1-2H3
InChIKeyARVXTZOXNMRURS-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.06
Rot. Bonds4

About 4-[2-(1-methylcyclohexyl)oxypropyl]phenol

4-[2-(1-methylcyclohexyl)oxypropyl]phenol (PubChem CID 67182172) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[2-(1-methylcyclohexyl)oxypropyl]phenol.

Molecular Properties

Compound Name4-[2-(1-methylcyclohexyl)oxypropyl]phenol
PubChem CID67182172
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name4-[2-(1-methylcyclohexyl)oxypropyl]phenol
SMILESCC(Cc1ccc(O)cc1)OC1(C)CCCCC1
InChIInChI=1S/C16H24O2/c1-13(12-14-6-8-15(17)9-7-14)18-16(2)10-4-3-5-11-16/h6-9,13,17H,3-5,10-12H2,1-2H3
InChIKeyARVXTZOXNMRURS-UHFFFAOYSA-N
XLogP4.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylcyclohexyl)oxypropyl]phenol?
The IUPAC name of 4-[2-(1-methylcyclohexyl)oxypropyl]phenol (CID 67182172) is 4-[2-(1-methylcyclohexyl)oxypropyl]phenol.
What is the SMILES notation for 4-[2-(1-methylcyclohexyl)oxypropyl]phenol?
The canonical SMILES for 4-[2-(1-methylcyclohexyl)oxypropyl]phenol is CC(Cc1ccc(O)cc1)OC1(C)CCCCC1.
What is the InChIKey of 4-[2-(1-methylcyclohexyl)oxypropyl]phenol?
The InChIKey is ARVXTZOXNMRURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-13(12-14-6-8-15(17)9-7-14)18-16(2)10-4-3-5-11-16/h6-9,13,17H,3-5,10-12H2,1-2H3.
What are the key properties of 4-[2-(1-methylcyclohexyl)oxypropyl]phenol?
4-[2-(1-methylcyclohexyl)oxypropyl]phenol has a molecular weight of 248.37 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylcyclohexyl)oxypropyl]phenol is sourced from PubChem (CID 67182172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).