ethyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate

C16H22O6 — CID 117495301

IUPACethyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate
SMILESCCOC(=O)C(O)c1ccc(OC)c(OC2CCOCC2)c1
InChIInChI=1S/C16H22O6/c1-3-21-16(18)15(17)11-4-5-13(19-2)14(10-11)22-12-6-8-20-9-7-12/h4-5,10,12,15,17H,3,6-9H2,1-2H3
InChIKeyTXOFCKVPBZXZNK-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.85
Rot. Bonds6

About ethyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate

ethyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate (PubChem CID 117495301) has the molecular formula C16H22O6 and a molecular weight of 310.35 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate
PubChem CID117495301
Molecular FormulaC16H22O6
Molecular Weight310.35 g/mol
Exact Mass310.14
IUPAC Nameethyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate
SMILESCCOC(=O)C(O)c1ccc(OC)c(OC2CCOCC2)c1
InChIInChI=1S/C16H22O6/c1-3-21-16(18)15(17)11-4-5-13(19-2)14(10-11)22-12-6-8-20-9-7-12/h4-5,10,12,15,17H,3,6-9H2,1-2H3
InChIKeyTXOFCKVPBZXZNK-UHFFFAOYSA-N
XLogP1.85
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate
CID 117477504
3-[4-methoxy-3-(oxan-4-yloxy)phenyl]butan-1-amine
CID 117448375
ethyl 2-hydroxy-2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]acetate
CID 117494133
3-amino-3-[3-methoxy-4-(oxan-4-yloxy)phenyl]propanoic acid
CID 117476009
3-amino-2-[3-methoxy-4-(oxan-4-yloxy)phenyl]propanoic acid
CID 117475989
3-[4-methoxy-3-(oxan-4-yloxy)phenyl]-2-methylpropanoic acid
CID 117474871
ethyl 2-hydroxy-2-[4-(oxan-4-yl)phenyl]acetate
CID 117415045
methyl 2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetate
CID 117494142
4-methoxy-3-[(3R)-oxolan-3-yl]oxybenzaldehyde
CID 54175149
2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid
CID 117378818
4-[5-(isocyanatomethyl)-2-methoxyphenoxy]oxane
CID 117412382
N-[[4-methoxy-3-(oxan-4-yloxy)phenyl]methyl]propan-1-amine
CID 63934986

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate?
The IUPAC name of ethyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate (CID 117495301) is ethyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate?
The canonical SMILES for ethyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate is CCOC(=O)C(O)c1ccc(OC)c(OC2CCOCC2)c1.
What is the InChIKey of ethyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate?
The InChIKey is TXOFCKVPBZXZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O6/c1-3-21-16(18)15(17)11-4-5-13(19-2)14(10-11)22-12-6-8-20-9-7-12/h4-5,10,12,15,17H,3,6-9H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate?
ethyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate has a molecular weight of 310.35 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate is sourced from PubChem (CID 117495301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).