1-cyclopentyl-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol

C17H26O3 — CID 103158943

IUPAC1-cyclopentyl-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol
SMILESCCC(O)c1ccccc1OCC(O)CC1CCCC1
InChIInChI=1S/C17H26O3/c1-2-16(19)15-9-5-6-10-17(15)20-12-14(18)11-13-7-3-4-8-13/h5-6,9-10,13-14,16,18-19H,2-4,7-8,11-12H2,1H3
InChIKeyUJNYJFNISPTPIA-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.45
Rot. Bonds7

About 1-cyclopentyl-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol

1-cyclopentyl-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol (PubChem CID 103158943) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol
PubChem CID103158943
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name1-cyclopentyl-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol
SMILESCCC(O)c1ccccc1OCC(O)CC1CCCC1
InChIInChI=1S/C17H26O3/c1-2-16(19)15-9-5-6-10-17(15)20-12-14(18)11-13-7-3-4-8-13/h5-6,9-10,13-14,16,18-19H,2-4,7-8,11-12H2,1H3
InChIKeyUJNYJFNISPTPIA-UHFFFAOYSA-N
XLogP3.45
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-(2-methoxyphenoxy)propan-2-ol
CID 103160603
1-[2-(1-hydroxypropyl)phenoxy]-3-methoxypropan-2-ol
CID 63929877
1-cyclopentyl-3-naphthalen-1-yloxypropan-2-ol
CID 103160605
1-ethoxy-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol
CID 63931772
1-(2-cyclopentyloxyphenyl)propan-1-ol
CID 43503588
1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-ol
CID 62386971
1-cyclopentyl-3-(4-ethylphenoxy)propan-2-ol
CID 103160577
1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-ol
CID 43503555
[(2R)-3-[2-[(2R)-butan-2-yl]phenoxy]-2-hydroxypropyl]-cyclopentylazanium
CID 7187890
1-cyclopentyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propan-2-ol
CID 103156475
1-[5-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-3-cyclopentylpropan-2-ol
CID 103159097
1-cyclopentyl-3-(4-ethyl-2-methoxyphenoxy)propan-2-ol
CID 103260703

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol (CID 103158943) is 1-cyclopentyl-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol is CCC(O)c1ccccc1OCC(O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol?
The InChIKey is UJNYJFNISPTPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-2-16(19)15-9-5-6-10-17(15)20-12-14(18)11-13-7-3-4-8-13/h5-6,9-10,13-14,16,18-19H,2-4,7-8,11-12H2,1H3.
What are the key properties of 1-cyclopentyl-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol?
1-cyclopentyl-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol has a molecular weight of 278.39 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol is sourced from PubChem (CID 103158943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).