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

C16H24O2 — CID 174631344

IUPAC4-(4-cyclopentyloxy-2-methylbutyl)phenol
SMILESCC(CCOC1CCCC1)Cc1ccc(O)cc1
InChIInChI=1S/C16H24O2/c1-13(10-11-18-16-4-2-3-5-16)12-14-6-8-15(17)9-7-14/h6-9,13,16-17H,2-5,10-12H2,1H3
InChIKeyXWPOKDIJPIZEFY-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.92
Rot. Bonds6

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

4-(4-cyclopentyloxy-2-methylbutyl)phenol (PubChem CID 174631344) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(4-cyclopentyloxy-2-methylbutyl)phenol.

Molecular Properties

Compound Name4-(4-cyclopentyloxy-2-methylbutyl)phenol
PubChem CID174631344
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name4-(4-cyclopentyloxy-2-methylbutyl)phenol
SMILESCC(CCOC1CCCC1)Cc1ccc(O)cc1
InChIInChI=1S/C16H24O2/c1-13(10-11-18-16-4-2-3-5-16)12-14-6-8-15(17)9-7-14/h6-9,13,16-17H,2-5,10-12H2,1H3
InChIKeyXWPOKDIJPIZEFY-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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Related Compounds

2-(4-cyclopentyloxy-2-methylbutyl)phenol
CID 158870833
4-[2-(2-cyclohexyloxyethylamino)propyl]phenol
CID 115494352
4-(5-ethoxy-2-methylpentyl)phenol
CID 174733302
4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol
CID 166697370
4-(2,6,8-trimethylnonyl)phenol
CID 155208815
4-(3-methoxy-2-methylpropyl)phenol
CID 143413207
2-cycloheptyloxy-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63466664
cyclopentyl 2-cyclopentyloxy-3-(4-hydroxyphenyl)propanoate
CID 68869672
4-(3-amino-2-methylpropyl)phenol;ethane
CID 170743294
4-(4-methyl-5-phenylpentyl)phenol
CID 158681288
4-[2-(cyclobutylamino)propyl]phenol
CID 115494316
1-(4-cyclopentyloxyphenyl)propan-2-ol
CID 80502782

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentyloxy-2-methylbutyl)phenol?
The IUPAC name of 4-(4-cyclopentyloxy-2-methylbutyl)phenol (CID 174631344) is 4-(4-cyclopentyloxy-2-methylbutyl)phenol.
What is the SMILES notation for 4-(4-cyclopentyloxy-2-methylbutyl)phenol?
The canonical SMILES for 4-(4-cyclopentyloxy-2-methylbutyl)phenol is CC(CCOC1CCCC1)Cc1ccc(O)cc1.
What is the InChIKey of 4-(4-cyclopentyloxy-2-methylbutyl)phenol?
The InChIKey is XWPOKDIJPIZEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-13(10-11-18-16-4-2-3-5-16)12-14-6-8-15(17)9-7-14/h6-9,13,16-17H,2-5,10-12H2,1H3.
What are the key properties of 4-(4-cyclopentyloxy-2-methylbutyl)phenol?
4-(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 4-(4-cyclopentyloxy-2-methylbutyl)phenol is sourced from PubChem (CID 174631344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).