4,5,7-trimethyl-6-propan-2-yl-1-benzofuran

C14H18O — CID 71217546

IUPAC4,5,7-trimethyl-6-propan-2-yl-1-benzofuran
SMILESCc1c(C(C)C)c(C)c2occc2c1C
InChIInChI=1S/C14H18O/c1-8(2)13-10(4)9(3)12-6-7-15-14(12)11(13)5/h6-8H,1-5H3
InChIKeyKXGREHWSXSCZMC-UHFFFAOYSA-N
MW202.30 g/mol
LogP4.48
Rot. Bonds1

About 4,5,7-trimethyl-6-propan-2-yl-1-benzofuran

4,5,7-trimethyl-6-propan-2-yl-1-benzofuran (PubChem CID 71217546) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 4,5,7-trimethyl-6-propan-2-yl-1-benzofuran.

Molecular Properties

Compound Name4,5,7-trimethyl-6-propan-2-yl-1-benzofuran
PubChem CID71217546
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name4,5,7-trimethyl-6-propan-2-yl-1-benzofuran
SMILESCc1c(C(C)C)c(C)c2occc2c1C
InChIInChI=1S/C14H18O/c1-8(2)13-10(4)9(3)12-6-7-15-14(12)11(13)5/h6-8H,1-5H3
InChIKeyKXGREHWSXSCZMC-UHFFFAOYSA-N
XLogP4.48
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5,7-trimethyl-6-propan-2-yl-1-benzofuran?
The IUPAC name of 4,5,7-trimethyl-6-propan-2-yl-1-benzofuran (CID 71217546) is 4,5,7-trimethyl-6-propan-2-yl-1-benzofuran.
What is the SMILES notation for 4,5,7-trimethyl-6-propan-2-yl-1-benzofuran?
The canonical SMILES for 4,5,7-trimethyl-6-propan-2-yl-1-benzofuran is Cc1c(C(C)C)c(C)c2occc2c1C.
What is the InChIKey of 4,5,7-trimethyl-6-propan-2-yl-1-benzofuran?
The InChIKey is KXGREHWSXSCZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-8(2)13-10(4)9(3)12-6-7-15-14(12)11(13)5/h6-8H,1-5H3.
What are the key properties of 4,5,7-trimethyl-6-propan-2-yl-1-benzofuran?
4,5,7-trimethyl-6-propan-2-yl-1-benzofuran has a molecular weight of 202.30 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,7-trimethyl-6-propan-2-yl-1-benzofuran is sourced from PubChem (CID 71217546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).