propan-2-yl 2-methylbenzo[g][1]benzofuran-3-carboxylate

C17H16O3 — CID 175808055

IUPACpropan-2-yl 2-methylbenzo[g][1]benzofuran-3-carboxylate
SMILESCc1oc2c(ccc3ccccc32)c1C(=O)OC(C)C
InChIInChI=1S/C17H16O3/c1-10(2)19-17(18)15-11(3)20-16-13-7-5-4-6-12(13)8-9-14(15)16/h4-10H,1-3H3
InChIKeyKKJKZNILKDKAOE-UHFFFAOYSA-N
MW268.31 g/mol
LogP4.46
Rot. Bonds2

About propan-2-yl 2-methylbenzo[g][1]benzofuran-3-carboxylate

propan-2-yl 2-methylbenzo[g][1]benzofuran-3-carboxylate (PubChem CID 175808055) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is propan-2-yl 2-methylbenzo[g][1]benzofuran-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-methylbenzo[g][1]benzofuran-3-carboxylate
PubChem CID175808055
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Namepropan-2-yl 2-methylbenzo[g][1]benzofuran-3-carboxylate
SMILESCc1oc2c(ccc3ccccc32)c1C(=O)OC(C)C
InChIInChI=1S/C17H16O3/c1-10(2)19-17(18)15-11(3)20-16-13-7-5-4-6-12(13)8-9-14(15)16/h4-10H,1-3H3
InChIKeyKKJKZNILKDKAOE-UHFFFAOYSA-N
XLogP4.46
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-methylbenzo[g][1]benzofuran-3-carboxylate?
The IUPAC name of propan-2-yl 2-methylbenzo[g][1]benzofuran-3-carboxylate (CID 175808055) is propan-2-yl 2-methylbenzo[g][1]benzofuran-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-methylbenzo[g][1]benzofuran-3-carboxylate?
The canonical SMILES for propan-2-yl 2-methylbenzo[g][1]benzofuran-3-carboxylate is Cc1oc2c(ccc3ccccc32)c1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-methylbenzo[g][1]benzofuran-3-carboxylate?
The InChIKey is KKJKZNILKDKAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-10(2)19-17(18)15-11(3)20-16-13-7-5-4-6-12(13)8-9-14(15)16/h4-10H,1-3H3.
What are the key properties of propan-2-yl 2-methylbenzo[g][1]benzofuran-3-carboxylate?
propan-2-yl 2-methylbenzo[g][1]benzofuran-3-carboxylate has a molecular weight of 268.31 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-methylbenzo[g][1]benzofuran-3-carboxylate is sourced from PubChem (CID 175808055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).