1-cyclopentyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol

C19H30O2 — CID 103160587

IUPAC1-cyclopentyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol
SMILESCCC(C)(C)c1ccc(OCC(O)CC2CCCC2)cc1
InChIInChI=1S/C19H30O2/c1-4-19(2,3)16-9-11-18(12-10-16)21-14-17(20)13-15-7-5-6-8-15/h9-12,15,17,20H,4-8,13-14H2,1-3H3
InChIKeyFINJDBRZVFUKLI-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.69
Rot. Bonds7

About 1-cyclopentyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol

1-cyclopentyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol (PubChem CID 103160587) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-cyclopentyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol
PubChem CID103160587
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name1-cyclopentyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol
SMILESCCC(C)(C)c1ccc(OCC(O)CC2CCCC2)cc1
InChIInChI=1S/C19H30O2/c1-4-19(2,3)16-9-11-18(12-10-16)21-14-17(20)13-15-7-5-6-8-15/h9-12,15,17,20H,4-8,13-14H2,1-3H3
InChIKeyFINJDBRZVFUKLI-UHFFFAOYSA-N
XLogP4.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-[(2R)-2-hydroxy-3-[4-(2-methylbutan-2-yl)phenoxy]propyl]-methylazanium
CID 2359529
1-cyclopentyl-3-(4-ethylphenoxy)propan-2-ol
CID 103160577
(2R)-1-amino-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol
CID 9159137
1-cyclopentyl-3-[4-(1-hydroxyethyl)phenoxy]propan-2-ol
CID 103158944
1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol
CID 105100781
1-cyclopentyl-3-[4-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
CID 103156424
methyl 4-(3-cyclopentyl-2-hydroxypropoxy)benzoate
CID 103156169
1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 16786972
2-[4-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetonitrile
CID 103158515
1-(cyclohexyloxymethoxy)-4-(2-methylbutan-2-yl)benzene
CID 89114083
1-(2-amino-2-methylbutoxy)-3-cyclopentylpropan-2-ol
CID 106940111
(2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 157185666

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol (CID 103160587) is 1-cyclopentyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol is CCC(C)(C)c1ccc(OCC(O)CC2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol?
The InChIKey is FINJDBRZVFUKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-4-19(2,3)16-9-11-18(12-10-16)21-14-17(20)13-15-7-5-6-8-15/h9-12,15,17,20H,4-8,13-14H2,1-3H3.
What are the key properties of 1-cyclopentyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol?
1-cyclopentyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol has a molecular weight of 290.45 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 103160587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).