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

C16H24O3 — CID 103158944

IUPAC1-cyclopentyl-3-[4-(1-hydroxyethyl)phenoxy]propan-2-ol
SMILESCC(O)c1ccc(OCC(O)CC2CCCC2)cc1
InChIInChI=1S/C16H24O3/c1-12(17)14-6-8-16(9-7-14)19-11-15(18)10-13-4-2-3-5-13/h6-9,12-13,15,17-18H,2-5,10-11H2,1H3
InChIKeyVZVKRUGQTCSFBD-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.06
Rot. Bonds6

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

1-cyclopentyl-3-[4-(1-hydroxyethyl)phenoxy]propan-2-ol (PubChem CID 103158944) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-cyclopentyl-3-[4-(1-hydroxyethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[4-(1-hydroxyethyl)phenoxy]propan-2-ol
PubChem CID103158944
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name1-cyclopentyl-3-[4-(1-hydroxyethyl)phenoxy]propan-2-ol
SMILESCC(O)c1ccc(OCC(O)CC2CCCC2)cc1
InChIInChI=1S/C16H24O3/c1-12(17)14-6-8-16(9-7-14)19-11-15(18)10-13-4-2-3-5-13/h6-9,12-13,15,17-18H,2-5,10-11H2,1H3
InChIKeyVZVKRUGQTCSFBD-UHFFFAOYSA-N
XLogP3.06
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-[4-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
CID 103156424
1-cyclopentyl-3-(4-ethylphenoxy)propan-2-ol
CID 103160577
1-cyclopentyl-3-[4-[(1R)-1-hydroxyethyl]-2-methylphenoxy]propan-2-ol
CID 103159069
1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol
CID 105100781
methyl 4-(3-cyclopentyl-2-hydroxypropoxy)benzoate
CID 103156169
1-cyclopentyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol
CID 103160587
2-[4-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetonitrile
CID 103158515
1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 155667891
2-cyclopentyl-1-(4-ethoxyphenyl)ethanol
CID 61101248
1-[cyclohexyl(methyl)amino]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 3416827
1-ethoxy-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
CID 78954639
1-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-3-cyclopentylpropan-2-ol
CID 103156690

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[4-(1-hydroxyethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[4-(1-hydroxyethyl)phenoxy]propan-2-ol (CID 103158944) is 1-cyclopentyl-3-[4-(1-hydroxyethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[4-(1-hydroxyethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[4-(1-hydroxyethyl)phenoxy]propan-2-ol is CC(O)c1ccc(OCC(O)CC2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-3-[4-(1-hydroxyethyl)phenoxy]propan-2-ol?
The InChIKey is VZVKRUGQTCSFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-12(17)14-6-8-16(9-7-14)19-11-15(18)10-13-4-2-3-5-13/h6-9,12-13,15,17-18H,2-5,10-11H2,1H3.
What are the key properties of 1-cyclopentyl-3-[4-(1-hydroxyethyl)phenoxy]propan-2-ol?
1-cyclopentyl-3-[4-(1-hydroxyethyl)phenoxy]propan-2-ol has a molecular weight of 264.37 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[4-(1-hydroxyethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 103158944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).