5-(2-bromophenyl)-3-(2,4-dimethoxyphenyl)-2-methyloxolane

C19H21BrO3 — CID 11538094

IUPAC5-(2-bromophenyl)-3-(2,4-dimethoxyphenyl)-2-methyloxolane
SMILESCOc1ccc(C2CC(c3ccccc3Br)OC2C)c(OC)c1
InChIInChI=1S/C19H21BrO3/c1-12-16(14-9-8-13(21-2)10-18(14)22-3)11-19(23-12)15-6-4-5-7-17(15)20/h4-10,12,16,19H,11H2,1-3H3
InChIKeyITWHALHAAYVGLE-UHFFFAOYSA-N
MW377.28 g/mol
LogP5.10
Rot. Bonds4

About 5-(2-bromophenyl)-3-(2,4-dimethoxyphenyl)-2-methyloxolane

5-(2-bromophenyl)-3-(2,4-dimethoxyphenyl)-2-methyloxolane (PubChem CID 11538094) has the molecular formula C19H21BrO3 and a molecular weight of 377.28 g/mol. Its IUPAC name is 5-(2-bromophenyl)-3-(2,4-dimethoxyphenyl)-2-methyloxolane.

Molecular Properties

Compound Name5-(2-bromophenyl)-3-(2,4-dimethoxyphenyl)-2-methyloxolane
PubChem CID11538094
Molecular FormulaC19H21BrO3
Molecular Weight377.28 g/mol
Exact Mass376.07
IUPAC Name5-(2-bromophenyl)-3-(2,4-dimethoxyphenyl)-2-methyloxolane
SMILESCOc1ccc(C2CC(c3ccccc3Br)OC2C)c(OC)c1
InChIInChI=1S/C19H21BrO3/c1-12-16(14-9-8-13(21-2)10-18(14)22-3)11-19(23-12)15-6-4-5-7-17(15)20/h4-10,12,16,19H,11H2,1-3H3
InChIKeyITWHALHAAYVGLE-UHFFFAOYSA-N
XLogP5.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.28
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(4-Bromophenyl)methoxy]-2,2,8-trimethylchromene
CID 4247855
8-Bromo-4-(3,5-dimethoxyphenyl)-7-methoxy-1,2-dihydronaphthalene
CID 60144708
2-(2,4-Dimethoxyphenyl)-5-phenyloxolane
CID 145976135
1,3,5-trimethoxy-2-[(E,2S)-4-(2,4,6-trimethoxyphenyl)but-3-en-2-yl]benzene
CID 155519670
2,2',4,4'-Tetramethoxy-1,1'-biphenyl
CID 266847
2'-Bromo-2,6-dimethoxybiphenyl
CID 16217965
2-bromo-1,5-dimethoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 24740589
2-Bromo-2',6'-diisopropoxy-1,1'-biphenyl
CID 16218107
3'-Bromo-2,4-dimethoxy-1,1'-biphenyl
CID 83666368
2,4-Dimethoxy-1-[1-(4-prop-2-enoxyphenyl)heptan-3-yl]benzene
CID 11516185
2,4-Dimethoxy-1-[1-(4-prop-2-enoxyphenyl)pentan-3-yl]benzene
CID 11559187
2,4-dimethoxy-1-[(E)-1-(4-prop-2-enoxyphenyl)pent-1-en-3-yl]benzene
CID 11595249

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-3-(2,4-dimethoxyphenyl)-2-methyloxolane?
The IUPAC name of 5-(2-bromophenyl)-3-(2,4-dimethoxyphenyl)-2-methyloxolane (CID 11538094) is 5-(2-bromophenyl)-3-(2,4-dimethoxyphenyl)-2-methyloxolane.
What is the SMILES notation for 5-(2-bromophenyl)-3-(2,4-dimethoxyphenyl)-2-methyloxolane?
The canonical SMILES for 5-(2-bromophenyl)-3-(2,4-dimethoxyphenyl)-2-methyloxolane is COc1ccc(C2CC(c3ccccc3Br)OC2C)c(OC)c1.
What is the InChIKey of 5-(2-bromophenyl)-3-(2,4-dimethoxyphenyl)-2-methyloxolane?
The InChIKey is ITWHALHAAYVGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrO3/c1-12-16(14-9-8-13(21-2)10-18(14)22-3)11-19(23-12)15-6-4-5-7-17(15)20/h4-10,12,16,19H,11H2,1-3H3.
What are the key properties of 5-(2-bromophenyl)-3-(2,4-dimethoxyphenyl)-2-methyloxolane?
5-(2-bromophenyl)-3-(2,4-dimethoxyphenyl)-2-methyloxolane has a molecular weight of 377.28 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-3-(2,4-dimethoxyphenyl)-2-methyloxolane is sourced from PubChem (CID 11538094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).