4-methyl-3-phenyl-7-propyl-1-benzofuran-6-ol

C18H18O2 — CID 58754017

IUPAC4-methyl-3-phenyl-7-propyl-1-benzofuran-6-ol
SMILESCCCc1c(O)cc(C)c2c(-c3ccccc3)coc12
InChIInChI=1S/C18H18O2/c1-3-7-14-16(19)10-12(2)17-15(11-20-18(14)17)13-8-5-4-6-9-13/h4-6,8-11,19H,3,7H2,1-2H3
InChIKeyVMBJSZRQPMMZBY-UHFFFAOYSA-N
MW266.34 g/mol
LogP5.07
Rot. Bonds3

About 4-methyl-3-phenyl-7-propyl-1-benzofuran-6-ol

4-methyl-3-phenyl-7-propyl-1-benzofuran-6-ol (PubChem CID 58754017) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-methyl-3-phenyl-7-propyl-1-benzofuran-6-ol.

Molecular Properties

Compound Name4-methyl-3-phenyl-7-propyl-1-benzofuran-6-ol
PubChem CID58754017
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name4-methyl-3-phenyl-7-propyl-1-benzofuran-6-ol
SMILESCCCc1c(O)cc(C)c2c(-c3ccccc3)coc12
InChIInChI=1S/C18H18O2/c1-3-7-14-16(19)10-12(2)17-15(11-20-18(14)17)13-8-5-4-6-9-13/h4-6,8-11,19H,3,7H2,1-2H3
InChIKeyVMBJSZRQPMMZBY-UHFFFAOYSA-N
XLogP5.07
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.34
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-phenyl-7-propyl-1-benzofuran-6-ol?
The IUPAC name of 4-methyl-3-phenyl-7-propyl-1-benzofuran-6-ol (CID 58754017) is 4-methyl-3-phenyl-7-propyl-1-benzofuran-6-ol.
What is the SMILES notation for 4-methyl-3-phenyl-7-propyl-1-benzofuran-6-ol?
The canonical SMILES for 4-methyl-3-phenyl-7-propyl-1-benzofuran-6-ol is CCCc1c(O)cc(C)c2c(-c3ccccc3)coc12.
What is the InChIKey of 4-methyl-3-phenyl-7-propyl-1-benzofuran-6-ol?
The InChIKey is VMBJSZRQPMMZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-3-7-14-16(19)10-12(2)17-15(11-20-18(14)17)13-8-5-4-6-9-13/h4-6,8-11,19H,3,7H2,1-2H3.
What are the key properties of 4-methyl-3-phenyl-7-propyl-1-benzofuran-6-ol?
4-methyl-3-phenyl-7-propyl-1-benzofuran-6-ol has a molecular weight of 266.34 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-phenyl-7-propyl-1-benzofuran-6-ol is sourced from PubChem (CID 58754017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).