2-[2-(3,5-dimethoxyphenyl)ethyl]-1,3-dioxolane

C13H18O4 — CID 12068613

IUPAC2-[2-(3,5-dimethoxyphenyl)ethyl]-1,3-dioxolane
SMILESCOc1cc(CCC2OCCO2)cc(OC)c1
InChIInChI=1S/C13H18O4/c1-14-11-7-10(8-12(9-11)15-2)3-4-13-16-5-6-17-13/h7-9,13H,3-6H2,1-2H3
InChIKeyDUTHWLSXNJQFDO-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.01
Rot. Bonds5

About 2-[2-(3,5-dimethoxyphenyl)ethyl]-1,3-dioxolane

2-[2-(3,5-dimethoxyphenyl)ethyl]-1,3-dioxolane (PubChem CID 12068613) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-[2-(3,5-dimethoxyphenyl)ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(3,5-dimethoxyphenyl)ethyl]-1,3-dioxolane
PubChem CID12068613
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name2-[2-(3,5-dimethoxyphenyl)ethyl]-1,3-dioxolane
SMILESCOc1cc(CCC2OCCO2)cc(OC)c1
InChIInChI=1S/C13H18O4/c1-14-11-7-10(8-12(9-11)15-2)3-4-13-16-5-6-17-13/h7-9,13H,3-6H2,1-2H3
InChIKeyDUTHWLSXNJQFDO-UHFFFAOYSA-N
XLogP2.01
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736
2-[8-(3-benzyl-5-methoxyphenoxy)octyl]-1,3-dioxolane
CID 141349968
2-(3,5-dimethoxyphenyl)ethyl-trimethoxysilane
CID 59566880
2-[2-(3,5-dimethoxyphenyl)ethyl]pyrrolidine
CID 81148091
N-[2-(1,3-dioxan-2-yl)ethyl]-3,5-dimethoxybenzamide
CID 110370070
1-(2-bromoethyl)-3,5-dimethoxybenzene
CID 12560827
1-butyl-3,5-dimethoxybenzene
CID 524875
sodium 2-(3,5-dimethoxyphenyl)ethanolate
CID 175142417
N-[2-(1,3-dioxolan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110369967
(2S)-4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholine-2-carboxylic acid
CID 125120675
CID 164591551
CID 164591551
N-[(3,5-dimethoxyphenyl)methyl]-2-methyloxolan-3-amine
CID 115335798

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethoxyphenyl)ethyl]-1,3-dioxolane?
The IUPAC name of 2-[2-(3,5-dimethoxyphenyl)ethyl]-1,3-dioxolane (CID 12068613) is 2-[2-(3,5-dimethoxyphenyl)ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-(3,5-dimethoxyphenyl)ethyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-(3,5-dimethoxyphenyl)ethyl]-1,3-dioxolane is COc1cc(CCC2OCCO2)cc(OC)c1.
What is the InChIKey of 2-[2-(3,5-dimethoxyphenyl)ethyl]-1,3-dioxolane?
The InChIKey is DUTHWLSXNJQFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-14-11-7-10(8-12(9-11)15-2)3-4-13-16-5-6-17-13/h7-9,13H,3-6H2,1-2H3.
What are the key properties of 2-[2-(3,5-dimethoxyphenyl)ethyl]-1,3-dioxolane?
2-[2-(3,5-dimethoxyphenyl)ethyl]-1,3-dioxolane has a molecular weight of 238.28 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethoxyphenyl)ethyl]-1,3-dioxolane is sourced from PubChem (CID 12068613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).