4-[1-(4-methoxyphenyl)butyl]-2,2-dimethyl-1,3-dioxolane

C16H24O3 — CID 173280424

IUPAC4-[1-(4-methoxyphenyl)butyl]-2,2-dimethyl-1,3-dioxolane
SMILESCCCC(c1ccc(OC)cc1)C1COC(C)(C)O1
InChIInChI=1S/C16H24O3/c1-5-6-14(15-11-18-16(2,3)19-15)12-7-9-13(17-4)10-8-12/h7-10,14-15H,5-6,11H2,1-4H3
InChIKeyRVWVCYGCZANHNH-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.73
Rot. Bonds5

About 4-[1-(4-methoxyphenyl)butyl]-2,2-dimethyl-1,3-dioxolane

4-[1-(4-methoxyphenyl)butyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 173280424) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[1-(4-methoxyphenyl)butyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-[1-(4-methoxyphenyl)butyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID173280424
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name4-[1-(4-methoxyphenyl)butyl]-2,2-dimethyl-1,3-dioxolane
SMILESCCCC(c1ccc(OC)cc1)C1COC(C)(C)O1
InChIInChI=1S/C16H24O3/c1-5-6-14(15-11-18-16(2,3)19-15)12-7-9-13(17-4)10-8-12/h7-10,14-15H,5-6,11H2,1-4H3
InChIKeyRVWVCYGCZANHNH-UHFFFAOYSA-N
XLogP3.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-methoxyphenyl)methoxy]acetate
CID 11012767
[(1S,2R)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(4-methoxyphenyl)ethyl] acetate
CID 10834457
(3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 11185547
benzyl N-[(R)-(2,2-dimethyl-1,3-dioxolan-4-yl)-(4-methoxyphenyl)methyl]carbamate
CID 102287259
methyl 3-[[(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(4-methoxyanilino)acetyl]amino]propanoate
CID 139248859
(4S)-4-[(2R,3S)-1-[(4-methoxyphenyl)methoxy]-3-phenylmethoxypent-4-yn-2-yl]-2,2-dimethyl-1,3-dioxolane
CID 11080102
(4S)-4-[(1S,2R,5S,6R)-5-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]-2,6-dimethyloct-7-enyl]-2,2-dimethyl-1,3-dioxolane
CID 101424551
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine
CID 107386400
1-[(5S)-3-[(1S)-1-(4-methoxyphenyl)butyl]-1-bicyclo[3.1.0]hexanyl]propane-1-thiol
CID 163517135
1-methoxy-4-nonan-5-ylbenzene
CID 14937032
ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-phenylpropanoate
CID 59008167
(4R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane
CID 11097485

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxyphenyl)butyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-[1-(4-methoxyphenyl)butyl]-2,2-dimethyl-1,3-dioxolane (CID 173280424) is 4-[1-(4-methoxyphenyl)butyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-[1-(4-methoxyphenyl)butyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-[1-(4-methoxyphenyl)butyl]-2,2-dimethyl-1,3-dioxolane is CCCC(c1ccc(OC)cc1)C1COC(C)(C)O1.
What is the InChIKey of 4-[1-(4-methoxyphenyl)butyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is RVWVCYGCZANHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-5-6-14(15-11-18-16(2,3)19-15)12-7-9-13(17-4)10-8-12/h7-10,14-15H,5-6,11H2,1-4H3.
What are the key properties of 4-[1-(4-methoxyphenyl)butyl]-2,2-dimethyl-1,3-dioxolane?
4-[1-(4-methoxyphenyl)butyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 264.37 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxyphenyl)butyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 173280424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).