(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-phenylmethanone

C21H24O2 — CID 10852345

IUPAC(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-phenylmethanone
SMILESCC(C)(C)c1cc(C(=O)c2ccccc2)cc2c1OCC2(C)C
InChIInChI=1S/C21H24O2/c1-20(2,3)16-11-15(18(22)14-9-7-6-8-10-14)12-17-19(16)23-13-21(17,4)5/h6-12H,13H2,1-5H3
InChIKeyYFUHWDPSKXJUAK-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.89
Rot. Bonds2

About (7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-phenylmethanone

(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-phenylmethanone (PubChem CID 10852345) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is (7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-phenylmethanone.

Molecular Properties

Compound Name(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-phenylmethanone
PubChem CID10852345
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-phenylmethanone
SMILESCC(C)(C)c1cc(C(=O)c2ccccc2)cc2c1OCC2(C)C
InChIInChI=1S/C21H24O2/c1-20(2,3)16-11-15(18(22)14-9-7-6-8-10-14)12-17-19(16)23-13-21(17,4)5/h6-12H,13H2,1-5H3
InChIKeyYFUHWDPSKXJUAK-UHFFFAOYSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-phenylmethanone?
The IUPAC name of (7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-phenylmethanone (CID 10852345) is (7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-phenylmethanone.
What is the SMILES notation for (7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-phenylmethanone?
The canonical SMILES for (7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-phenylmethanone is CC(C)(C)c1cc(C(=O)c2ccccc2)cc2c1OCC2(C)C.
What is the InChIKey of (7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-phenylmethanone?
The InChIKey is YFUHWDPSKXJUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2/c1-20(2,3)16-11-15(18(22)14-9-7-6-8-10-14)12-17-19(16)23-13-21(17,4)5/h6-12H,13H2,1-5H3.
What are the key properties of (7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-phenylmethanone?
(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-phenylmethanone has a molecular weight of 308.42 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-phenylmethanone is sourced from PubChem (CID 10852345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).