(4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone

C19H26O2 — CID 114744176

IUPAC(4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
SMILESCC(C)(C)C1CCC(C(=O)c2cccc3c2OCC3)CC1
InChIInChI=1S/C19H26O2/c1-19(2,3)15-9-7-13(8-10-15)17(20)16-6-4-5-14-11-12-21-18(14)16/h4-6,13,15H,7-12H2,1-3H3
InChIKeyIVKVOLPSTOCDHM-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.66
Rot. Bonds2

About (4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone

(4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone (PubChem CID 114744176) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
PubChem CID114744176
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name(4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
SMILESCC(C)(C)C1CCC(C(=O)c2cccc3c2OCC3)CC1
InChIInChI=1S/C19H26O2/c1-19(2,3)15-9-7-13(8-10-15)17(20)16-6-4-5-14-11-12-21-18(14)16/h4-6,13,15H,7-12H2,1-3H3
InChIKeyIVKVOLPSTOCDHM-UHFFFAOYSA-N
XLogP4.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The IUPAC name of (4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone (CID 114744176) is (4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone.
What is the SMILES notation for (4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The canonical SMILES for (4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone is CC(C)(C)C1CCC(C(=O)c2cccc3c2OCC3)CC1.
What is the InChIKey of (4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The InChIKey is IVKVOLPSTOCDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-19(2,3)15-9-7-13(8-10-15)17(20)16-6-4-5-14-11-12-21-18(14)16/h4-6,13,15H,7-12H2,1-3H3.
What are the key properties of (4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
(4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone has a molecular weight of 286.42 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone is sourced from PubChem (CID 114744176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).