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

C17H26O2 — CID 67179008

IUPAC4-[2-(1-ethylcyclohexyl)oxypropyl]phenol
SMILESCCC1(OC(C)Cc2ccc(O)cc2)CCCCC1
InChIInChI=1S/C17H26O2/c1-3-17(11-5-4-6-12-17)19-14(2)13-15-7-9-16(18)10-8-15/h7-10,14,18H,3-6,11-13H2,1-2H3
InChIKeySCTKHTJMBSKBLH-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.45
Rot. Bonds5

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

4-[2-(1-ethylcyclohexyl)oxypropyl]phenol (PubChem CID 67179008) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 4-[2-(1-ethylcyclohexyl)oxypropyl]phenol.

Molecular Properties

Compound Name4-[2-(1-ethylcyclohexyl)oxypropyl]phenol
PubChem CID67179008
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name4-[2-(1-ethylcyclohexyl)oxypropyl]phenol
SMILESCCC1(OC(C)Cc2ccc(O)cc2)CCCCC1
InChIInChI=1S/C17H26O2/c1-3-17(11-5-4-6-12-17)19-14(2)13-15-7-9-16(18)10-8-15/h7-10,14,18H,3-6,11-13H2,1-2H3
InChIKeySCTKHTJMBSKBLH-UHFFFAOYSA-N
XLogP4.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-ethylcyclohexyl)oxypropyl]phenol?
The IUPAC name of 4-[2-(1-ethylcyclohexyl)oxypropyl]phenol (CID 67179008) is 4-[2-(1-ethylcyclohexyl)oxypropyl]phenol.
What is the SMILES notation for 4-[2-(1-ethylcyclohexyl)oxypropyl]phenol?
The canonical SMILES for 4-[2-(1-ethylcyclohexyl)oxypropyl]phenol is CCC1(OC(C)Cc2ccc(O)cc2)CCCCC1.
What is the InChIKey of 4-[2-(1-ethylcyclohexyl)oxypropyl]phenol?
The InChIKey is SCTKHTJMBSKBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-3-17(11-5-4-6-12-17)19-14(2)13-15-7-9-16(18)10-8-15/h7-10,14,18H,3-6,11-13H2,1-2H3.
What are the key properties of 4-[2-(1-ethylcyclohexyl)oxypropyl]phenol?
4-[2-(1-ethylcyclohexyl)oxypropyl]phenol has a molecular weight of 262.39 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-ethylcyclohexyl)oxypropyl]phenol is sourced from PubChem (CID 67179008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).