4-[(2S)-butan-2-yl]-2-(2-methoxyphenyl)-1,3-dioxolane

C14H20O3 — CID 71122177

IUPAC4-[(2S)-butan-2-yl]-2-(2-methoxyphenyl)-1,3-dioxolane
SMILESCC[C@H](C)C1COC(c2ccccc2OC)O1
InChIInChI=1S/C14H20O3/c1-4-10(2)13-9-16-14(17-13)11-7-5-6-8-12(11)15-3/h5-8,10,13-14H,4,9H2,1-3H3/t10-,13?,14?/m0/s1
InChIKeyYNTBINYKUMBKNJ-FNBIGBAISA-N
MW236.31 g/mol
LogP3.16
Rot. Bonds4

About 4-[(2S)-butan-2-yl]-2-(2-methoxyphenyl)-1,3-dioxolane

4-[(2S)-butan-2-yl]-2-(2-methoxyphenyl)-1,3-dioxolane (PubChem CID 71122177) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-[(2S)-butan-2-yl]-2-(2-methoxyphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-[(2S)-butan-2-yl]-2-(2-methoxyphenyl)-1,3-dioxolane
PubChem CID71122177
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name4-[(2S)-butan-2-yl]-2-(2-methoxyphenyl)-1,3-dioxolane
SMILESCC[C@H](C)C1COC(c2ccccc2OC)O1
InChIInChI=1S/C14H20O3/c1-4-10(2)13-9-16-14(17-13)11-7-5-6-8-12(11)15-3/h5-8,10,13-14H,4,9H2,1-3H3/t10-,13?,14?/m0/s1
InChIKeyYNTBINYKUMBKNJ-FNBIGBAISA-N
XLogP3.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-butan-2-yl]-2-(2-methoxyphenyl)-1,3-dioxolane?
The IUPAC name of 4-[(2S)-butan-2-yl]-2-(2-methoxyphenyl)-1,3-dioxolane (CID 71122177) is 4-[(2S)-butan-2-yl]-2-(2-methoxyphenyl)-1,3-dioxolane.
What is the SMILES notation for 4-[(2S)-butan-2-yl]-2-(2-methoxyphenyl)-1,3-dioxolane?
The canonical SMILES for 4-[(2S)-butan-2-yl]-2-(2-methoxyphenyl)-1,3-dioxolane is CC[C@H](C)C1COC(c2ccccc2OC)O1.
What is the InChIKey of 4-[(2S)-butan-2-yl]-2-(2-methoxyphenyl)-1,3-dioxolane?
The InChIKey is YNTBINYKUMBKNJ-FNBIGBAISA-N. The full InChI is InChI=1S/C14H20O3/c1-4-10(2)13-9-16-14(17-13)11-7-5-6-8-12(11)15-3/h5-8,10,13-14H,4,9H2,1-3H3/t10-,13?,14?/m0/s1.
What are the key properties of 4-[(2S)-butan-2-yl]-2-(2-methoxyphenyl)-1,3-dioxolane?
4-[(2S)-butan-2-yl]-2-(2-methoxyphenyl)-1,3-dioxolane has a molecular weight of 236.31 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-butan-2-yl]-2-(2-methoxyphenyl)-1,3-dioxolane is sourced from PubChem (CID 71122177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).