3-[4-(2-hydroxypropyl)phenoxy]oxolan-2-one

C13H16O4 — CID 115496011

IUPAC3-[4-(2-hydroxypropyl)phenoxy]oxolan-2-one
SMILESCC(O)Cc1ccc(OC2CCOC2=O)cc1
InChIInChI=1S/C13H16O4/c1-9(14)8-10-2-4-11(5-3-10)17-12-6-7-16-13(12)15/h2-5,9,12,14H,6-8H2,1H3
InChIKeyUOXFLPDAXPWCMN-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.30
Rot. Bonds4

About 3-[4-(2-hydroxypropyl)phenoxy]oxolan-2-one

3-[4-(2-hydroxypropyl)phenoxy]oxolan-2-one (PubChem CID 115496011) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-[4-(2-hydroxypropyl)phenoxy]oxolan-2-one.

Molecular Properties

Compound Name3-[4-(2-hydroxypropyl)phenoxy]oxolan-2-one
PubChem CID115496011
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name3-[4-(2-hydroxypropyl)phenoxy]oxolan-2-one
SMILESCC(O)Cc1ccc(OC2CCOC2=O)cc1
InChIInChI=1S/C13H16O4/c1-9(14)8-10-2-4-11(5-3-10)17-12-6-7-16-13(12)15/h2-5,9,12,14H,6-8H2,1H3
InChIKeyUOXFLPDAXPWCMN-UHFFFAOYSA-N
XLogP1.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-benzylphenoxy)oxolan-2-one
CID 142700385
3-(4-propanoylphenoxy)oxolan-2-one
CID 43176443
1-(4-cyclobutyloxyphenyl)propan-2-ol
CID 117295049
1-(4-cyclopentyloxyphenyl)propan-2-ol
CID 80502782
3-[4-[1-(methylamino)propyl]phenoxy]oxolan-2-one
CID 60889535
4-[4-(2-hydroxypropyl)phenoxy]-1,1-dioxothiolan-3-ol
CID 115495876
3-[4-(thiolan-1-ium-1-yl)phenoxy]oxolan-2-one
CID 59379029
3-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxyoxolan-2-one
CID 63365343
1-[4-(1,1-dioxothiolan-3-yl)oxyphenyl]propan-2-ol
CID 113323142
3-[4-[[5-[2-[4-[1,1-bis[4-hydroxy-3,5-bis[[4-(2-oxooxolan-3-yl)oxyphenyl]methyl]phenyl]ethyl]phenyl]propan-2-yl]-2-hydroxy-3-[[4-(2-oxooxolan-3-yl)oxyphenyl]methyl]phenyl]methyl]phenoxy]oxolan-2-one
CID 58640870
3-(4-bromophenoxy)oxolan-2-one;methyl 2-(4-bromophenoxy)-4-hydroxybutanoate
CID 159914237
3-(3-methylphenoxy)oxolan-2-one
CID 71360233

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxypropyl)phenoxy]oxolan-2-one?
The IUPAC name of 3-[4-(2-hydroxypropyl)phenoxy]oxolan-2-one (CID 115496011) is 3-[4-(2-hydroxypropyl)phenoxy]oxolan-2-one.
What is the SMILES notation for 3-[4-(2-hydroxypropyl)phenoxy]oxolan-2-one?
The canonical SMILES for 3-[4-(2-hydroxypropyl)phenoxy]oxolan-2-one is CC(O)Cc1ccc(OC2CCOC2=O)cc1.
What is the InChIKey of 3-[4-(2-hydroxypropyl)phenoxy]oxolan-2-one?
The InChIKey is UOXFLPDAXPWCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-9(14)8-10-2-4-11(5-3-10)17-12-6-7-16-13(12)15/h2-5,9,12,14H,6-8H2,1H3.
What are the key properties of 3-[4-(2-hydroxypropyl)phenoxy]oxolan-2-one?
3-[4-(2-hydroxypropyl)phenoxy]oxolan-2-one has a molecular weight of 236.27 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxypropyl)phenoxy]oxolan-2-one is sourced from PubChem (CID 115496011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).