methyl 3-(4-hydroxyphenoxy)-2-(oxolan-3-yl)propanoate

C14H18O5 — CID 117238402

IUPACmethyl 3-(4-hydroxyphenoxy)-2-(oxolan-3-yl)propanoate
SMILESCOC(=O)C(COc1ccc(O)cc1)C1CCOC1
InChIInChI=1S/C14H18O5/c1-17-14(16)13(10-6-7-18-8-10)9-19-12-4-2-11(15)3-5-12/h2-5,10,13,15H,6-9H2,1H3
InChIKeyHJCQZJHHSMXVPE-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.60
Rot. Bonds5

About methyl 3-(4-hydroxyphenoxy)-2-(oxolan-3-yl)propanoate

methyl 3-(4-hydroxyphenoxy)-2-(oxolan-3-yl)propanoate (PubChem CID 117238402) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is methyl 3-(4-hydroxyphenoxy)-2-(oxolan-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-hydroxyphenoxy)-2-(oxolan-3-yl)propanoate
PubChem CID117238402
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Namemethyl 3-(4-hydroxyphenoxy)-2-(oxolan-3-yl)propanoate
SMILESCOC(=O)C(COc1ccc(O)cc1)C1CCOC1
InChIInChI=1S/C14H18O5/c1-17-14(16)13(10-6-7-18-8-10)9-19-12-4-2-11(15)3-5-12/h2-5,10,13,15H,6-9H2,1H3
InChIKeyHJCQZJHHSMXVPE-UHFFFAOYSA-N
XLogP1.60
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(4-hydroxyphenoxy)-2-(oxan-4-yl)propanoate
CID 117239792
methyl 2-cyclopentyl-3-(4-methoxyphenoxy)propanoate
CID 117245908
methyl 3-(cyclobutylamino)-2-(oxolan-3-yl)propanoate
CID 117238072
3-(4-methoxyphenoxy)-2-(oxolan-3-yl)propan-1-ol
CID 117237928
2-(4-ethoxyphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748364
methyl 3-methoxy-2-(oxan-4-yl)propanoate
CID 117239855
methyl 3-(dimethylamino)-2-(oxolan-3-yl)propanoate
CID 117238102
1-(oxolan-3-yl)-2-(4-propan-2-ylphenoxy)ethanamine
CID 113448536
2-(4-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748475
methyl (2S)-2-chloro-2-[(3S)-oxolan-3-yl]acetate
CID 94376600
1-(oxolan-3-yl)-2-(4-propoxyphenoxy)ethanol
CID 104753632
3-(4-chlorophenoxy)-2-(oxan-4-yl)propanoic acid
CID 117239787

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-hydroxyphenoxy)-2-(oxolan-3-yl)propanoate?
The IUPAC name of methyl 3-(4-hydroxyphenoxy)-2-(oxolan-3-yl)propanoate (CID 117238402) is methyl 3-(4-hydroxyphenoxy)-2-(oxolan-3-yl)propanoate.
What is the SMILES notation for methyl 3-(4-hydroxyphenoxy)-2-(oxolan-3-yl)propanoate?
The canonical SMILES for methyl 3-(4-hydroxyphenoxy)-2-(oxolan-3-yl)propanoate is COC(=O)C(COc1ccc(O)cc1)C1CCOC1.
What is the InChIKey of methyl 3-(4-hydroxyphenoxy)-2-(oxolan-3-yl)propanoate?
The InChIKey is HJCQZJHHSMXVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-17-14(16)13(10-6-7-18-8-10)9-19-12-4-2-11(15)3-5-12/h2-5,10,13,15H,6-9H2,1H3.
What are the key properties of methyl 3-(4-hydroxyphenoxy)-2-(oxolan-3-yl)propanoate?
methyl 3-(4-hydroxyphenoxy)-2-(oxolan-3-yl)propanoate has a molecular weight of 266.29 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-hydroxyphenoxy)-2-(oxolan-3-yl)propanoate is sourced from PubChem (CID 117238402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).