2-butan-2-yl-5-(4-chloro-3,5-dimethoxyphenyl)furan

C16H19ClO3 — CID 137448223

IUPAC2-butan-2-yl-5-(4-chloro-3,5-dimethoxyphenyl)furan
SMILESCCC(C)c1ccc(-c2cc(OC)c(Cl)c(OC)c2)o1
InChIInChI=1S/C16H19ClO3/c1-5-10(2)12-6-7-13(20-12)11-8-14(18-3)16(17)15(9-11)19-4/h6-10H,5H2,1-4H3
InChIKeyYOGCZCXKCQMTMZ-UHFFFAOYSA-N
MW294.78 g/mol
LogP5.13
Rot. Bonds5

About 2-butan-2-yl-5-(4-chloro-3,5-dimethoxyphenyl)furan

2-butan-2-yl-5-(4-chloro-3,5-dimethoxyphenyl)furan (PubChem CID 137448223) has the molecular formula C16H19ClO3 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-butan-2-yl-5-(4-chloro-3,5-dimethoxyphenyl)furan.

Molecular Properties

Compound Name2-butan-2-yl-5-(4-chloro-3,5-dimethoxyphenyl)furan
PubChem CID137448223
Molecular FormulaC16H19ClO3
Molecular Weight294.78 g/mol
Exact Mass294.10
IUPAC Name2-butan-2-yl-5-(4-chloro-3,5-dimethoxyphenyl)furan
SMILESCCC(C)c1ccc(-c2cc(OC)c(Cl)c(OC)c2)o1
InChIInChI=1S/C16H19ClO3/c1-5-10(2)12-6-7-13(20-12)11-8-14(18-3)16(17)15(9-11)19-4/h6-10H,5H2,1-4H3
InChIKeyYOGCZCXKCQMTMZ-UHFFFAOYSA-N
XLogP5.13
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.78
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-(4-chloro-3,5-dimethoxyphenyl)furan?
The IUPAC name of 2-butan-2-yl-5-(4-chloro-3,5-dimethoxyphenyl)furan (CID 137448223) is 2-butan-2-yl-5-(4-chloro-3,5-dimethoxyphenyl)furan.
What is the SMILES notation for 2-butan-2-yl-5-(4-chloro-3,5-dimethoxyphenyl)furan?
The canonical SMILES for 2-butan-2-yl-5-(4-chloro-3,5-dimethoxyphenyl)furan is CCC(C)c1ccc(-c2cc(OC)c(Cl)c(OC)c2)o1.
What is the InChIKey of 2-butan-2-yl-5-(4-chloro-3,5-dimethoxyphenyl)furan?
The InChIKey is YOGCZCXKCQMTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClO3/c1-5-10(2)12-6-7-13(20-12)11-8-14(18-3)16(17)15(9-11)19-4/h6-10H,5H2,1-4H3.
What are the key properties of 2-butan-2-yl-5-(4-chloro-3,5-dimethoxyphenyl)furan?
2-butan-2-yl-5-(4-chloro-3,5-dimethoxyphenyl)furan has a molecular weight of 294.78 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-(4-chloro-3,5-dimethoxyphenyl)furan is sourced from PubChem (CID 137448223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).