2-[2-methyl-2-(1-methylcyclopentyl)oxypropyl]phenol

C16H24O2 — CID 67181000

IUPAC2-[2-methyl-2-(1-methylcyclopentyl)oxypropyl]phenol
SMILESCC(C)(Cc1ccccc1O)OC1(C)CCCC1
InChIInChI=1S/C16H24O2/c1-15(2,18-16(3)10-6-7-11-16)12-13-8-4-5-9-14(13)17/h4-5,8-9,17H,6-7,10-12H2,1-3H3
InChIKeyFAJJAXVBFZKRFC-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.06
Rot. Bonds4

About 2-[2-methyl-2-(1-methylcyclopentyl)oxypropyl]phenol

2-[2-methyl-2-(1-methylcyclopentyl)oxypropyl]phenol (PubChem CID 67181000) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[2-methyl-2-(1-methylcyclopentyl)oxypropyl]phenol.

Molecular Properties

Compound Name2-[2-methyl-2-(1-methylcyclopentyl)oxypropyl]phenol
PubChem CID67181000
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2-[2-methyl-2-(1-methylcyclopentyl)oxypropyl]phenol
SMILESCC(C)(Cc1ccccc1O)OC1(C)CCCC1
InChIInChI=1S/C16H24O2/c1-15(2,18-16(3)10-6-7-11-16)12-13-8-4-5-9-14(13)17/h4-5,8-9,17H,6-7,10-12H2,1-3H3
InChIKeyFAJJAXVBFZKRFC-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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Related Compounds

2-(2-aminooxy-2-methylpropyl)phenol
CID 117104866
2-(3-hydroxy-2,2-dimethylpropyl)phenol
CID 135339227
2-(2-butoxy-2-methylpropyl)phenol
CID 67182146
2-(2-amino-2-methylpropyl)phenol
CID 22723438
2-(2-cyclopentyl-2-methylpropyl)phenol
CID 160603986
2-(2-decoxy-2-methylpropyl)phenol
CID 67181132
2-[(3-methylazetidin-3-yl)oxymethyl]phenol
CID 115019383
(2-hydroxyphenyl)methyl-methylazanium
CID 36689670
2-[[(1-methylcyclobutyl)methylamino]methyl]phenol;hydrochloride
CID 115680456
2-[(2-propan-2-ylazetidin-2-yl)methyl]phenol
CID 115058746
2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol
CID 82979989
2-[[1-(aminomethyl)cyclopentyl]methyl]phenol
CID 105458102

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2-(1-methylcyclopentyl)oxypropyl]phenol?
The IUPAC name of 2-[2-methyl-2-(1-methylcyclopentyl)oxypropyl]phenol (CID 67181000) is 2-[2-methyl-2-(1-methylcyclopentyl)oxypropyl]phenol.
What is the SMILES notation for 2-[2-methyl-2-(1-methylcyclopentyl)oxypropyl]phenol?
The canonical SMILES for 2-[2-methyl-2-(1-methylcyclopentyl)oxypropyl]phenol is CC(C)(Cc1ccccc1O)OC1(C)CCCC1.
What is the InChIKey of 2-[2-methyl-2-(1-methylcyclopentyl)oxypropyl]phenol?
The InChIKey is FAJJAXVBFZKRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-15(2,18-16(3)10-6-7-11-16)12-13-8-4-5-9-14(13)17/h4-5,8-9,17H,6-7,10-12H2,1-3H3.
What are the key properties of 2-[2-methyl-2-(1-methylcyclopentyl)oxypropyl]phenol?
2-[2-methyl-2-(1-methylcyclopentyl)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 2-[2-methyl-2-(1-methylcyclopentyl)oxypropyl]phenol is sourced from PubChem (CID 67181000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).