2-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-dioxolane

C15H22O4 — CID 83958722

IUPAC2-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-dioxolane
SMILESCCCOc1ccc(C2(CC)OCCO2)cc1OC
InChIInChI=1S/C15H22O4/c1-4-8-17-13-7-6-12(11-14(13)16-3)15(5-2)18-9-10-19-15/h6-7,11H,4-5,8-10H2,1-3H3
InChIKeyPNZWJWUDQSWYEA-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.09
Rot. Bonds6

About 2-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-dioxolane

2-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-dioxolane (PubChem CID 83958722) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-dioxolane
PubChem CID83958722
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name2-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-dioxolane
SMILESCCCOc1ccc(C2(CC)OCCO2)cc1OC
InChIInChI=1S/C15H22O4/c1-4-8-17-13-7-6-12(11-14(13)16-3)15(5-2)18-9-10-19-15/h6-7,11H,4-5,8-10H2,1-3H3
InChIKeyPNZWJWUDQSWYEA-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-(3-propan-2-yl-4-propoxyphenyl)-1,3-dioxolane
CID 83958306
2-(5-bromo-2-propoxyphenyl)-2-propyl-1,3-dioxolane
CID 83958152
2-(5-chloro-2,4-dipropoxyphenyl)-2-ethyl-1,3-dioxolane
CID 83959353
2-ethyl-2-(2-fluoro-4,5-dimethoxyphenyl)-1,3-dioxolane
CID 83949927
9-[(3-methoxy-4-propoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 75475758
[2-(3-tert-butyl-4-methoxyphenyl)-1,3-dioxolan-2-yl]methanamine
CID 82122627
3-(3-methoxy-4-propoxyphenyl)prop-2-enal
CID 79331084
O-[(3-methoxy-4-propoxyphenyl)methyl]hydroxylamine
CID 71207187
2-(2-methoxyphenyl)-2-propyl-1,3-dioxolane
CID 83957658
2-ethyl-3-[1-(3-methoxy-4-propoxyphenyl)propan-2-yl]oxirane
CID 83938531
4-(2,2-dibromoethenyl)-2-methoxy-1-propoxybenzene
CID 22970780
2-methoxy-4-nitro-1-propoxybenzene
CID 131858212

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-dioxolane?
The IUPAC name of 2-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-dioxolane (CID 83958722) is 2-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-dioxolane?
The canonical SMILES for 2-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-dioxolane is CCCOc1ccc(C2(CC)OCCO2)cc1OC.
What is the InChIKey of 2-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-dioxolane?
The InChIKey is PNZWJWUDQSWYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-4-8-17-13-7-6-12(11-14(13)16-3)15(5-2)18-9-10-19-15/h6-7,11H,4-5,8-10H2,1-3H3.
What are the key properties of 2-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-dioxolane?
2-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-dioxolane has a molecular weight of 266.34 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-dioxolane is sourced from PubChem (CID 83958722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).