methyl 2-[2-[(3-hydroxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetate

C14H18O5 — CID 117169502

IUPACmethyl 2-[2-[(3-hydroxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetate
SMILESCOC(=O)CC1COC(C)(Cc2cccc(O)c2)O1
InChIInChI=1S/C14H18O5/c1-14(8-10-4-3-5-11(15)6-10)18-9-12(19-14)7-13(16)17-2/h3-6,12,15H,7-9H2,1-2H3
InChIKeyKGXMVUYOPISVSH-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.63
Rot. Bonds4

About methyl 2-[2-[(3-hydroxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetate

methyl 2-[2-[(3-hydroxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetate (PubChem CID 117169502) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is methyl 2-[2-[(3-hydroxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(3-hydroxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetate
PubChem CID117169502
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Namemethyl 2-[2-[(3-hydroxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetate
SMILESCOC(=O)CC1COC(C)(Cc2cccc(O)c2)O1
InChIInChI=1S/C14H18O5/c1-14(8-10-4-3-5-11(15)6-10)18-9-12(19-14)7-13(16)17-2/h3-6,12,15H,7-9H2,1-2H3
InChIKeyKGXMVUYOPISVSH-UHFFFAOYSA-N
XLogP1.63
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(3-hydroxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetate?
The IUPAC name of methyl 2-[2-[(3-hydroxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetate (CID 117169502) is methyl 2-[2-[(3-hydroxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(3-hydroxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[(3-hydroxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetate is COC(=O)CC1COC(C)(Cc2cccc(O)c2)O1.
What is the InChIKey of methyl 2-[2-[(3-hydroxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetate?
The InChIKey is KGXMVUYOPISVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-14(8-10-4-3-5-11(15)6-10)18-9-12(19-14)7-13(16)17-2/h3-6,12,15H,7-9H2,1-2H3.
What are the key properties of methyl 2-[2-[(3-hydroxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetate?
methyl 2-[2-[(3-hydroxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetate has a molecular weight of 266.29 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(3-hydroxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetate is sourced from PubChem (CID 117169502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).