(4R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane

C15H22O4 — CID 11097485

IUPAC(4R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane
SMILESCOc1ccc(COCC[C@@H]2COC(C)(C)O2)cc1
InChIInChI=1S/C15H22O4/c1-15(2)18-11-14(19-15)8-9-17-10-12-4-6-13(16-3)7-5-12/h4-7,14H,8-11H2,1-3H3/t14-/m1/s1
InChIKeyZOCZVNZTROSBKL-CQSZACIVSA-N
MW266.34 g/mol
LogP2.75
Rot. Bonds6

About (4R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane

(4R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 11097485) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (4R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID11097485
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(4R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane
SMILESCOc1ccc(COCC[C@@H]2COC(C)(C)O2)cc1
InChIInChI=1S/C15H22O4/c1-15(2)18-11-14(19-15)8-9-17-10-12-4-6-13(16-3)7-5-12/h4-7,14H,8-11H2,1-3H3/t14-/m1/s1
InChIKeyZOCZVNZTROSBKL-CQSZACIVSA-N
XLogP2.75
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Methoxybenzyl acetate
CID 7695
Piperonyl acetate
CID 9473
Gastrodin
CID 115067
Vanillin propylene glycol acetal
CID 109455
Vanillin 2,3-butanediol acetal
CID 57358374
Piprotal
CID 21350
5-(Diethoxymethyl)-1,3-benzodioxole
CID 95136
beta-D-Glucopyranoside, 4-methylphenyl
CID 88447
1-(Diethoxymethyl)-4-methoxybenzene
CID 75468
Icariside D2
CID 10614148
4-(2-PROPENYL)PHENYL-beta-D-GLUCOPYRANOSIDE
CID 44390556
1,3-Benzodioxole-5-methanol, alpha-ethenyl-, 5-acetate
CID 36868

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane (CID 11097485) is (4R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane is COc1ccc(COCC[C@@H]2COC(C)(C)O2)cc1.
What is the InChIKey of (4R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is ZOCZVNZTROSBKL-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22O4/c1-15(2)18-11-14(19-15)8-9-17-10-12-4-6-13(16-3)7-5-12/h4-7,14H,8-11H2,1-3H3/t14-/m1/s1.
What are the key properties of (4R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane?
(4R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 266.34 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 11097485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).