2-benzyl-7-chloro-3-methyl-5-propyl-1-benzofuran-4-ol

C19H19ClO2 — CID 14570894

IUPAC2-benzyl-7-chloro-3-methyl-5-propyl-1-benzofuran-4-ol
SMILESCCCc1cc(Cl)c2oc(Cc3ccccc3)c(C)c2c1O
InChIInChI=1S/C19H19ClO2/c1-3-7-14-11-15(20)19-17(18(14)21)12(2)16(22-19)10-13-8-5-4-6-9-13/h4-6,8-9,11,21H,3,7,10H2,1-2H3
InChIKeyVZPLFUAZRDREGR-UHFFFAOYSA-N
MW314.81 g/mol
LogP5.64
Rot. Bonds4

About 2-benzyl-7-chloro-3-methyl-5-propyl-1-benzofuran-4-ol

2-benzyl-7-chloro-3-methyl-5-propyl-1-benzofuran-4-ol (PubChem CID 14570894) has the molecular formula C19H19ClO2 and a molecular weight of 314.81 g/mol. Its IUPAC name is 2-benzyl-7-chloro-3-methyl-5-propyl-1-benzofuran-4-ol.

Molecular Properties

Compound Name2-benzyl-7-chloro-3-methyl-5-propyl-1-benzofuran-4-ol
PubChem CID14570894
Molecular FormulaC19H19ClO2
Molecular Weight314.81 g/mol
Exact Mass314.11
IUPAC Name2-benzyl-7-chloro-3-methyl-5-propyl-1-benzofuran-4-ol
SMILESCCCc1cc(Cl)c2oc(Cc3ccccc3)c(C)c2c1O
InChIInChI=1S/C19H19ClO2/c1-3-7-14-11-15(20)19-17(18(14)21)12(2)16(22-19)10-13-8-5-4-6-9-13/h4-6,8-9,11,21H,3,7,10H2,1-2H3
InChIKeyVZPLFUAZRDREGR-UHFFFAOYSA-N
XLogP5.64
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.81
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-7-chloro-3-methyl-5-propyl-1-benzofuran-4-ol?
The IUPAC name of 2-benzyl-7-chloro-3-methyl-5-propyl-1-benzofuran-4-ol (CID 14570894) is 2-benzyl-7-chloro-3-methyl-5-propyl-1-benzofuran-4-ol.
What is the SMILES notation for 2-benzyl-7-chloro-3-methyl-5-propyl-1-benzofuran-4-ol?
The canonical SMILES for 2-benzyl-7-chloro-3-methyl-5-propyl-1-benzofuran-4-ol is CCCc1cc(Cl)c2oc(Cc3ccccc3)c(C)c2c1O.
What is the InChIKey of 2-benzyl-7-chloro-3-methyl-5-propyl-1-benzofuran-4-ol?
The InChIKey is VZPLFUAZRDREGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClO2/c1-3-7-14-11-15(20)19-17(18(14)21)12(2)16(22-19)10-13-8-5-4-6-9-13/h4-6,8-9,11,21H,3,7,10H2,1-2H3.
What are the key properties of 2-benzyl-7-chloro-3-methyl-5-propyl-1-benzofuran-4-ol?
2-benzyl-7-chloro-3-methyl-5-propyl-1-benzofuran-4-ol has a molecular weight of 314.81 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7-chloro-3-methyl-5-propyl-1-benzofuran-4-ol is sourced from PubChem (CID 14570894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).