3-(oxolan-2-yl)-1-(4-propoxyphenyl)propan-1-ol

C16H24O3 — CID 65162391

IUPAC3-(oxolan-2-yl)-1-(4-propoxyphenyl)propan-1-ol
SMILESCCCOc1ccc(C(O)CCC2CCCO2)cc1
InChIInChI=1S/C16H24O3/c1-2-11-18-15-7-5-13(6-8-15)16(17)10-9-14-4-3-12-19-14/h5-8,14,16-17H,2-4,9-12H2,1H3
InChIKeyGCDCTUZOGQBQCS-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.47
Rot. Bonds7

About 3-(oxolan-2-yl)-1-(4-propoxyphenyl)propan-1-ol

3-(oxolan-2-yl)-1-(4-propoxyphenyl)propan-1-ol (PubChem CID 65162391) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-1-(4-propoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(oxolan-2-yl)-1-(4-propoxyphenyl)propan-1-ol
PubChem CID65162391
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name3-(oxolan-2-yl)-1-(4-propoxyphenyl)propan-1-ol
SMILESCCCOc1ccc(C(O)CCC2CCCO2)cc1
InChIInChI=1S/C16H24O3/c1-2-11-18-15-7-5-13(6-8-15)16(17)10-9-14-4-3-12-19-14/h5-8,14,16-17H,2-4,9-12H2,1H3
InChIKeyGCDCTUZOGQBQCS-UHFFFAOYSA-N
XLogP3.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160366
2-(oxolan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol
CID 82314086
3-cyclopropyl-1-(4-propoxyphenyl)propan-1-ol
CID 106590416
1-(4-butylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160664
(1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-1-amine
CID 65158359
1-[4-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-ol
CID 65161859
1-(6-methyl-3-pyridinyl)-3-(oxolan-2-yl)propan-1-ol
CID 104822985
(1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 79004698
2-(oxolan-2-ylmethylamino)-2-(4-propoxyphenyl)acetamide
CID 62497281
2-[2-(4-propoxyphenoxy)ethylsulfanylmethyl]oxolane
CID 112815270
1-(2-methyl-4-pyridinyl)-3-(oxolan-2-yl)propan-1-ol
CID 106756236
(1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 63364123

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-1-(4-propoxyphenyl)propan-1-ol?
The IUPAC name of 3-(oxolan-2-yl)-1-(4-propoxyphenyl)propan-1-ol (CID 65162391) is 3-(oxolan-2-yl)-1-(4-propoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-(oxolan-2-yl)-1-(4-propoxyphenyl)propan-1-ol?
The canonical SMILES for 3-(oxolan-2-yl)-1-(4-propoxyphenyl)propan-1-ol is CCCOc1ccc(C(O)CCC2CCCO2)cc1.
What is the InChIKey of 3-(oxolan-2-yl)-1-(4-propoxyphenyl)propan-1-ol?
The InChIKey is GCDCTUZOGQBQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-2-11-18-15-7-5-13(6-8-15)16(17)10-9-14-4-3-12-19-14/h5-8,14,16-17H,2-4,9-12H2,1H3.
What are the key properties of 3-(oxolan-2-yl)-1-(4-propoxyphenyl)propan-1-ol?
3-(oxolan-2-yl)-1-(4-propoxyphenyl)propan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-1-(4-propoxyphenyl)propan-1-ol is sourced from PubChem (CID 65162391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).