2-(3-tert-butyl-2-methoxy-5-methylphenyl)-1,3-dioxolane

C15H22O3 — CID 83959269

IUPAC2-(3-tert-butyl-2-methoxy-5-methylphenyl)-1,3-dioxolane
SMILESCOc1c(C2OCCO2)cc(C)cc1C(C)(C)C
InChIInChI=1S/C15H22O3/c1-10-8-11(14-17-6-7-18-14)13(16-5)12(9-10)15(2,3)4/h8-9,14H,6-7H2,1-5H3
InChIKeyYSEAMJOZGNXIEB-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.35
Rot. Bonds2

About 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-1,3-dioxolane

2-(3-tert-butyl-2-methoxy-5-methylphenyl)-1,3-dioxolane (PubChem CID 83959269) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(3-tert-butyl-2-methoxy-5-methylphenyl)-1,3-dioxolane
PubChem CID83959269
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-(3-tert-butyl-2-methoxy-5-methylphenyl)-1,3-dioxolane
SMILESCOc1c(C2OCCO2)cc(C)cc1C(C)(C)C
InChIInChI=1S/C15H22O3/c1-10-8-11(14-17-6-7-18-14)13(16-5)12(9-10)15(2,3)4/h8-9,14H,6-7H2,1-5H3
InChIKeyYSEAMJOZGNXIEB-UHFFFAOYSA-N
XLogP3.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-dimethylsilane
CID 87556435
1-(3-tert-butyl-2-methoxy-5-methylphenyl)sulfonylpyrrolidine
CID 110758574
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol
CID 82297608
2-(2-methoxy-3-methylphenyl)-1,3-dioxolane
CID 122548411
1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methoxy-5-methylbenzene
CID 68742471
2,4-ditert-butyl-6-(1,3-dioxolan-2-yl)phenol
CID 170873937
N-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclobutanamine
CID 96678019
1-(3,5-ditert-butyl-2-methoxyphenyl)-N-(1,3-dioxolan-2-ylmethyl)methanimine
CID 118119683
2-(2,6-ditert-butyl-4-methylphenyl)oxirane
CID 121433136
2-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]piperidine
CID 117426620
1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol
CID 117374422
1-tert-butyl-3-isothiocyanato-2-methoxy-5-methylbenzene
CID 82496669

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-1,3-dioxolane?
The IUPAC name of 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-1,3-dioxolane (CID 83959269) is 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-1,3-dioxolane is COc1c(C2OCCO2)cc(C)cc1C(C)(C)C.
What is the InChIKey of 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-1,3-dioxolane?
The InChIKey is YSEAMJOZGNXIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-10-8-11(14-17-6-7-18-14)13(16-5)12(9-10)15(2,3)4/h8-9,14H,6-7H2,1-5H3.
What are the key properties of 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-1,3-dioxolane?
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-1,3-dioxolane has a molecular weight of 250.34 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-1,3-dioxolane is sourced from PubChem (CID 83959269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).