2-(4-cyclopentyloxy-2-methylbutyl)phenol

C16H24O2 — CID 158870833

IUPAC2-(4-cyclopentyloxy-2-methylbutyl)phenol
SMILESCC(CCOC1CCCC1)Cc1ccccc1O
InChIInChI=1S/C16H24O2/c1-13(10-11-18-15-7-3-4-8-15)12-14-6-2-5-9-16(14)17/h2,5-6,9,13,15,17H,3-4,7-8,10-12H2,1H3
InChIKeyJBUZMNCBRWSXAF-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.92
Rot. Bonds6

About 2-(4-cyclopentyloxy-2-methylbutyl)phenol

2-(4-cyclopentyloxy-2-methylbutyl)phenol (PubChem CID 158870833) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(4-cyclopentyloxy-2-methylbutyl)phenol.

Molecular Properties

Compound Name2-(4-cyclopentyloxy-2-methylbutyl)phenol
PubChem CID158870833
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2-(4-cyclopentyloxy-2-methylbutyl)phenol
SMILESCC(CCOC1CCCC1)Cc1ccccc1O
InChIInChI=1S/C16H24O2/c1-13(10-11-18-15-7-3-4-8-15)12-14-6-2-5-9-16(14)17/h2,5-6,9,13,15,17H,3-4,7-8,10-12H2,1H3
InChIKeyJBUZMNCBRWSXAF-UHFFFAOYSA-N
XLogP3.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentyloxy-2-methylbutyl)phenol?
The IUPAC name of 2-(4-cyclopentyloxy-2-methylbutyl)phenol (CID 158870833) is 2-(4-cyclopentyloxy-2-methylbutyl)phenol.
What is the SMILES notation for 2-(4-cyclopentyloxy-2-methylbutyl)phenol?
The canonical SMILES for 2-(4-cyclopentyloxy-2-methylbutyl)phenol is CC(CCOC1CCCC1)Cc1ccccc1O.
What is the InChIKey of 2-(4-cyclopentyloxy-2-methylbutyl)phenol?
The InChIKey is JBUZMNCBRWSXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-13(10-11-18-15-7-3-4-8-15)12-14-6-2-5-9-16(14)17/h2,5-6,9,13,15,17H,3-4,7-8,10-12H2,1H3.
What are the key properties of 2-(4-cyclopentyloxy-2-methylbutyl)phenol?
2-(4-cyclopentyloxy-2-methylbutyl)phenol has a molecular weight of 248.37 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentyloxy-2-methylbutyl)phenol is sourced from PubChem (CID 158870833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).