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

C19H30O2 — CID 67180906

IUPAC4-[2-(1-butylcyclohexyl)oxypropyl]phenol
SMILESCCCCC1(OC(C)Cc2ccc(O)cc2)CCCCC1
InChIInChI=1S/C19H30O2/c1-3-4-12-19(13-6-5-7-14-19)21-16(2)15-17-8-10-18(20)11-9-17/h8-11,16,20H,3-7,12-15H2,1-2H3
InChIKeyKQERLZNXGVVXLS-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.23
Rot. Bonds7

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

4-[2-(1-butylcyclohexyl)oxypropyl]phenol (PubChem CID 67180906) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-[2-(1-butylcyclohexyl)oxypropyl]phenol.

Molecular Properties

Compound Name4-[2-(1-butylcyclohexyl)oxypropyl]phenol
PubChem CID67180906
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name4-[2-(1-butylcyclohexyl)oxypropyl]phenol
SMILESCCCCC1(OC(C)Cc2ccc(O)cc2)CCCCC1
InChIInChI=1S/C19H30O2/c1-3-4-12-19(13-6-5-7-14-19)21-16(2)15-17-8-10-18(20)11-9-17/h8-11,16,20H,3-7,12-15H2,1-2H3
InChIKeyKQERLZNXGVVXLS-UHFFFAOYSA-N
XLogP5.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-butylcyclohexyl)oxypropyl]phenol?
The IUPAC name of 4-[2-(1-butylcyclohexyl)oxypropyl]phenol (CID 67180906) is 4-[2-(1-butylcyclohexyl)oxypropyl]phenol.
What is the SMILES notation for 4-[2-(1-butylcyclohexyl)oxypropyl]phenol?
The canonical SMILES for 4-[2-(1-butylcyclohexyl)oxypropyl]phenol is CCCCC1(OC(C)Cc2ccc(O)cc2)CCCCC1.
What is the InChIKey of 4-[2-(1-butylcyclohexyl)oxypropyl]phenol?
The InChIKey is KQERLZNXGVVXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-3-4-12-19(13-6-5-7-14-19)21-16(2)15-17-8-10-18(20)11-9-17/h8-11,16,20H,3-7,12-15H2,1-2H3.
What are the key properties of 4-[2-(1-butylcyclohexyl)oxypropyl]phenol?
4-[2-(1-butylcyclohexyl)oxypropyl]phenol has a molecular weight of 290.45 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-butylcyclohexyl)oxypropyl]phenol is sourced from PubChem (CID 67180906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).