methyl 3-[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]propanoate

C14H18O5 — CID 69191493

IUPACmethyl 3-[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]propanoate
SMILESCOC(=O)CCC1(c2ccc(OC)cc2)OCCO1
InChIInChI=1S/C14H18O5/c1-16-12-5-3-11(4-6-12)14(18-9-10-19-14)8-7-13(15)17-2/h3-6H,7-10H2,1-2H3
InChIKeyMTBFBAOMVJNGPF-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.85
Rot. Bonds5

About methyl 3-[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]propanoate

methyl 3-[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]propanoate (PubChem CID 69191493) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is methyl 3-[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]propanoate
PubChem CID69191493
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Namemethyl 3-[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]propanoate
SMILESCOC(=O)CCC1(c2ccc(OC)cc2)OCCO1
InChIInChI=1S/C14H18O5/c1-16-12-5-3-11(4-6-12)14(18-9-10-19-14)8-7-13(15)17-2/h3-6H,7-10H2,1-2H3
InChIKeyMTBFBAOMVJNGPF-UHFFFAOYSA-N
XLogP1.85
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorobutyl)-2-(4-methoxyphenyl)-1,3-dioxolane
CID 20547832
1-[[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]methyl]-3-(2-methylpropylsulfanyl)urea
CID 88701938
2-[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]acetaldehyde
CID 46205096
methyl N-butyl-N'-[[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]methyl]carbamimidothioate;hydroiodide
CID 12833661
[2-(4-methoxyphenyl)oxetan-2-yl]methanol
CID 117258820
methyl 4-formyl-5,5-bis(4-methoxyphenyl)pent-4-enoate
CID 86169372
4-O-[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 1-O-methyl butanedioate
CID 44543072
methyl 4,4-bis(4-methoxyphenyl)pentanoate
CID 118933680
8-(4-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 10934332
3-acetamido-2-(4-methoxyphenyl)-2-methyloxane-3-carboxylic acid
CID 15643851
bis(4-methoxyphenyl) propanedioate
CID 12000137
2-[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]-2-methyloct-7-yn-3-one
CID 142257593

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]propanoate?
The IUPAC name of methyl 3-[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]propanoate (CID 69191493) is methyl 3-[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]propanoate?
The canonical SMILES for methyl 3-[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]propanoate is COC(=O)CCC1(c2ccc(OC)cc2)OCCO1.
What is the InChIKey of methyl 3-[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]propanoate?
The InChIKey is MTBFBAOMVJNGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-16-12-5-3-11(4-6-12)14(18-9-10-19-14)8-7-13(15)17-2/h3-6H,7-10H2,1-2H3.
What are the key properties of methyl 3-[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]propanoate?
methyl 3-[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]propanoate has a molecular weight of 266.29 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]propanoate is sourced from PubChem (CID 69191493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).