2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane

C20H24O3 — CID 14681590

IUPAC2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane
SMILESCOc1ccc(C2OC(c3ccc(OC)cc3)C(C)C2C)cc1
InChIInChI=1S/C20H24O3/c1-13-14(2)20(16-7-11-18(22-4)12-8-16)23-19(13)15-5-9-17(21-3)10-6-15/h5-14,19-20H,1-4H3
InChIKeyNBWJFYJZGGMCPP-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.79
Rot. Bonds4

About 2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane

2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane (PubChem CID 14681590) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane.

Molecular Properties

Compound Name2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane
PubChem CID14681590
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane
SMILESCOc1ccc(C2OC(c3ccc(OC)cc3)C(C)C2C)cc1
InChIInChI=1S/C20H24O3/c1-13-14(2)20(16-7-11-18(22-4)12-8-16)23-19(13)15-5-9-17(21-3)10-6-15/h5-14,19-20H,1-4H3
InChIKeyNBWJFYJZGGMCPP-UHFFFAOYSA-N
XLogP4.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R,5S,6R)-4-(4-methoxyphenyl)-2,5,6-trimethyl-1,3-dioxane
CID 13085354
(2S,3R,4S,5S)-5-(4-methoxyphenyl)-2,4-dimethyloxolan-3-ol
CID 102589589
4-[(2S,3S,4R,5R)-5-(4-methoxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,3-diol
CID 166448551
(2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane
CID 101333877
(2R,3R)-2-(2-methoxyphenyl)-3-(4-methoxyphenyl)oxirane
CID 11817711
1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene
CID 134955785
(2S,3R,4R,5S)-3,4-bis(2-methoxyphenyl)-2,5-bis(4-methoxyphenyl)oxolane
CID 139093397
(2S,3R)-2-ethynyl-3-(4-methoxyphenyl)oxirane
CID 135891777
4-(4-methoxyphenyl)-2,2,5-trimethyl-1,3-dioxolane
CID 56986398
2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)oxirane
CID 101113332
4-[(2S,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol
CID 51694144
potassium (2R,3S)-3-(4-methoxyphenyl)oxirane-2-carboxylate
CID 139621521

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane?
The IUPAC name of 2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane (CID 14681590) is 2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane.
What is the SMILES notation for 2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane?
The canonical SMILES for 2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane is COc1ccc(C2OC(c3ccc(OC)cc3)C(C)C2C)cc1.
What is the InChIKey of 2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane?
The InChIKey is NBWJFYJZGGMCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-13-14(2)20(16-7-11-18(22-4)12-8-16)23-19(13)15-5-9-17(21-3)10-6-15/h5-14,19-20H,1-4H3.
What are the key properties of 2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane?
2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane has a molecular weight of 312.41 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane is sourced from PubChem (CID 14681590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).