2-[3,4-bis(2-methylpropoxy)phenyl]-1,3-dioxolane

C17H26O4 — CID 83950062

IUPAC2-[3,4-bis(2-methylpropoxy)phenyl]-1,3-dioxolane
SMILESCC(C)COc1ccc(C2OCCO2)cc1OCC(C)C
InChIInChI=1S/C17H26O4/c1-12(2)10-20-15-6-5-14(17-18-7-8-19-17)9-16(15)21-11-13(3)4/h5-6,9,12-13,17H,7-8,10-11H2,1-4H3
InChIKeyQLLGZFWGWKYBNQ-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.80
Rot. Bonds7

About 2-[3,4-bis(2-methylpropoxy)phenyl]-1,3-dioxolane

2-[3,4-bis(2-methylpropoxy)phenyl]-1,3-dioxolane (PubChem CID 83950062) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[3,4-bis(2-methylpropoxy)phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[3,4-bis(2-methylpropoxy)phenyl]-1,3-dioxolane
PubChem CID83950062
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name2-[3,4-bis(2-methylpropoxy)phenyl]-1,3-dioxolane
SMILESCC(C)COc1ccc(C2OCCO2)cc1OCC(C)C
InChIInChI=1S/C17H26O4/c1-12(2)10-20-15-6-5-14(17-18-7-8-19-17)9-16(15)21-11-13(3)4/h5-6,9,12-13,17H,7-8,10-11H2,1-4H3
InChIKeyQLLGZFWGWKYBNQ-UHFFFAOYSA-N
XLogP3.80
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-dioxolane
CID 142891086
[4-(1,3-dioxolan-2-yl)-2-methoxyphenyl] 2-methylpropanoate
CID 170874022
2-[3-ethoxy-4-(2-ethoxypropoxy)phenyl]-4-methyl-1,3-dioxolane
CID 166834698
(3S)-3-[4-(difluoromethoxy)-3-(2-methylpropoxy)phenyl]pyrrolidine
CID 175176896
N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 54847965
2-(3-methoxy-4-phenylphenyl)-1,3-dioxolane
CID 170874319
2-[3-fluoro-4-(2-methylpropoxy)phenyl]cyclopropan-1-amine;hydrochloride
CID 141455426
2-[3,4-bis(methoxymethoxy)phenyl]oxirane
CID 13466105
2-butoxy-5-(1,3-dioxan-2-yl)aniline
CID 82057123
2-methylpropyl 4-(3-ethoxy-4-propoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844173
5-[3-methoxy-4-(2-methylpropoxy)phenyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
CID 3540537
4-methoxy-3-(2-methylpropoxy)benzenethiol
CID 91656127

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(2-methylpropoxy)phenyl]-1,3-dioxolane?
The IUPAC name of 2-[3,4-bis(2-methylpropoxy)phenyl]-1,3-dioxolane (CID 83950062) is 2-[3,4-bis(2-methylpropoxy)phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[3,4-bis(2-methylpropoxy)phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[3,4-bis(2-methylpropoxy)phenyl]-1,3-dioxolane is CC(C)COc1ccc(C2OCCO2)cc1OCC(C)C.
What is the InChIKey of 2-[3,4-bis(2-methylpropoxy)phenyl]-1,3-dioxolane?
The InChIKey is QLLGZFWGWKYBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-12(2)10-20-15-6-5-14(17-18-7-8-19-17)9-16(15)21-11-13(3)4/h5-6,9,12-13,17H,7-8,10-11H2,1-4H3.
What are the key properties of 2-[3,4-bis(2-methylpropoxy)phenyl]-1,3-dioxolane?
2-[3,4-bis(2-methylpropoxy)phenyl]-1,3-dioxolane has a molecular weight of 294.39 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(2-methylpropoxy)phenyl]-1,3-dioxolane is sourced from PubChem (CID 83950062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).