2-[3-(4-methoxyphenyl)oxolan-3-yl]-5-methylfuran

C16H18O3 — CID 167506148

IUPAC2-[3-(4-methoxyphenyl)oxolan-3-yl]-5-methylfuran
SMILESCOc1ccc(C2(c3ccc(C)o3)CCOC2)cc1
InChIInChI=1S/C16H18O3/c1-12-3-8-15(19-12)16(9-10-18-11-16)13-4-6-14(17-2)7-5-13/h3-8H,9-11H2,1-2H3
InChIKeyWSTQPQCVXGIPDR-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.30
Rot. Bonds3

About 2-[3-(4-methoxyphenyl)oxolan-3-yl]-5-methylfuran

2-[3-(4-methoxyphenyl)oxolan-3-yl]-5-methylfuran (PubChem CID 167506148) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)oxolan-3-yl]-5-methylfuran.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)oxolan-3-yl]-5-methylfuran
PubChem CID167506148
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name2-[3-(4-methoxyphenyl)oxolan-3-yl]-5-methylfuran
SMILESCOc1ccc(C2(c3ccc(C)o3)CCOC2)cc1
InChIInChI=1S/C16H18O3/c1-12-3-8-15(19-12)16(9-10-18-11-16)13-4-6-14(17-2)7-5-13/h3-8H,9-11H2,1-2H3
InChIKeyWSTQPQCVXGIPDR-UHFFFAOYSA-N
XLogP3.30
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(5-methylfuran-2-yl)oxetan-3-yl]aniline
CID 116871216
2-[4-(4-methoxyphenyl)oxan-4-yl]-4-methyl-1,3-thiazole
CID 170068372
[(3S)-3-(4-methoxyphenyl)oxolan-3-yl]methanol
CID 168870342
3-(4-methoxyphenyl)oxane-3-carbonitrile
CID 142504213
4-(4-methoxyphenyl)oxepan-4-ol
CID 65079083
4-(bromomethyl)-4-(5-methylfuran-2-yl)oxane
CID 83693529
[2-(4-methoxyphenyl)oxetan-2-yl]methanol
CID 117258820
3-(methoxymethyl)-3-(4-methoxyphenyl)morpholine
CID 117272233
[3-(4-methoxyphenyl)oxolan-3-yl]-pyridin-2-ylmethanol
CID 71522366
1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene
CID 12846256
3-(4-methoxyphenyl)-3,4-dimethyl-2H-furan
CID 152736283
2-(4-methoxyphenyl)-5-methylfuran
CID 11171456

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)oxolan-3-yl]-5-methylfuran?
The IUPAC name of 2-[3-(4-methoxyphenyl)oxolan-3-yl]-5-methylfuran (CID 167506148) is 2-[3-(4-methoxyphenyl)oxolan-3-yl]-5-methylfuran.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)oxolan-3-yl]-5-methylfuran?
The canonical SMILES for 2-[3-(4-methoxyphenyl)oxolan-3-yl]-5-methylfuran is COc1ccc(C2(c3ccc(C)o3)CCOC2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)oxolan-3-yl]-5-methylfuran?
The InChIKey is WSTQPQCVXGIPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-12-3-8-15(19-12)16(9-10-18-11-16)13-4-6-14(17-2)7-5-13/h3-8H,9-11H2,1-2H3.
What are the key properties of 2-[3-(4-methoxyphenyl)oxolan-3-yl]-5-methylfuran?
2-[3-(4-methoxyphenyl)oxolan-3-yl]-5-methylfuran has a molecular weight of 258.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)oxolan-3-yl]-5-methylfuran is sourced from PubChem (CID 167506148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).