2-phenyl-3-propan-2-ylbenzo[g][1]benzofuran

C21H18O — CID 11565470

IUPAC2-phenyl-3-propan-2-ylbenzo[g][1]benzofuran
SMILESCC(C)c1c(-c2ccccc2)oc2c1ccc1ccccc12
InChIInChI=1S/C21H18O/c1-14(2)19-18-13-12-15-8-6-7-11-17(15)21(18)22-20(19)16-9-4-3-5-10-16/h3-14H,1-2H3
InChIKeyQXPKCWPCVBIFFF-UHFFFAOYSA-N
MW286.37 g/mol
LogP6.38
Rot. Bonds2

About 2-phenyl-3-propan-2-ylbenzo[g][1]benzofuran

2-phenyl-3-propan-2-ylbenzo[g][1]benzofuran (PubChem CID 11565470) has the molecular formula C21H18O and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-phenyl-3-propan-2-ylbenzo[g][1]benzofuran.

Molecular Properties

Compound Name2-phenyl-3-propan-2-ylbenzo[g][1]benzofuran
PubChem CID11565470
Molecular FormulaC21H18O
Molecular Weight286.37 g/mol
Exact Mass286.14
IUPAC Name2-phenyl-3-propan-2-ylbenzo[g][1]benzofuran
SMILESCC(C)c1c(-c2ccccc2)oc2c1ccc1ccccc12
InChIInChI=1S/C21H18O/c1-14(2)19-18-13-12-15-8-6-7-11-17(15)21(18)22-20(19)16-9-4-3-5-10-16/h3-14H,1-2H3
InChIKeyQXPKCWPCVBIFFF-UHFFFAOYSA-N
XLogP6.38
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.37
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-3-propan-2-yl-1-benzofuran
CID 11536007
1,2-di(propan-2-yl)naphthalene;hydrogen peroxide
CID 19002409
ethane;2-methyl-1-propan-2-ylnaphthalene
CID 144871891
1,1'-biphenyl;naphthalene;phenanthrene
CID 157410235
7-phenylnaphtho[1,2-b][1]benzofuran
CID 166938823
1,1'-biphenyl;1,4-diphenylbenzene;ethane;naphthalene;phenanthrene
CID 158841778
3-(4-bromophenyl)-2-(4-methoxyphenyl)benzo[g][1]benzofuran
CID 71813906
10-methylnaphtho[1,2-b][1]benzofuran
CID 58510874
12-propan-2-ylbenzo[a]anthracen-7-amine
CID 155685833
3-iodo-2-phenyl-8-propan-2-ylpyrano[2,3-e]isoindol-4-one
CID 67067836
2-[4-(dimethylamino)phenyl]-3-hydroxybenzo[h]chromen-4-one
CID 2988186
1-[1-(2-aminonaphthalen-1-yl)ethyl]naphthalen-2-amine
CID 139712413

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-propan-2-ylbenzo[g][1]benzofuran?
The IUPAC name of 2-phenyl-3-propan-2-ylbenzo[g][1]benzofuran (CID 11565470) is 2-phenyl-3-propan-2-ylbenzo[g][1]benzofuran.
What is the SMILES notation for 2-phenyl-3-propan-2-ylbenzo[g][1]benzofuran?
The canonical SMILES for 2-phenyl-3-propan-2-ylbenzo[g][1]benzofuran is CC(C)c1c(-c2ccccc2)oc2c1ccc1ccccc12.
What is the InChIKey of 2-phenyl-3-propan-2-ylbenzo[g][1]benzofuran?
The InChIKey is QXPKCWPCVBIFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O/c1-14(2)19-18-13-12-15-8-6-7-11-17(15)21(18)22-20(19)16-9-4-3-5-10-16/h3-14H,1-2H3.
What are the key properties of 2-phenyl-3-propan-2-ylbenzo[g][1]benzofuran?
2-phenyl-3-propan-2-ylbenzo[g][1]benzofuran has a molecular weight of 286.37 g/mol, XLogP of 6.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-propan-2-ylbenzo[g][1]benzofuran is sourced from PubChem (CID 11565470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).