4,7-dibutyl-5-phenyl-1,3-dihydro-2-benzofuran

C22H28O — CID 70876576

IUPAC4,7-dibutyl-5-phenyl-1,3-dihydro-2-benzofuran
SMILESCCCCc1cc(-c2ccccc2)c(CCCC)c2c1COC2
InChIInChI=1S/C22H28O/c1-3-5-10-18-14-20(17-11-8-7-9-12-17)19(13-6-4-2)22-16-23-15-21(18)22/h7-9,11-12,14H,3-6,10,13,15-16H2,1-2H3
InChIKeyLJEMHGPFWQQCLT-UHFFFAOYSA-N
MW308.46 g/mol
LogP6.07
Rot. Bonds7

About 4,7-dibutyl-5-phenyl-1,3-dihydro-2-benzofuran

4,7-dibutyl-5-phenyl-1,3-dihydro-2-benzofuran (PubChem CID 70876576) has the molecular formula C22H28O and a molecular weight of 308.46 g/mol. Its IUPAC name is 4,7-dibutyl-5-phenyl-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name4,7-dibutyl-5-phenyl-1,3-dihydro-2-benzofuran
PubChem CID70876576
Molecular FormulaC22H28O
Molecular Weight308.46 g/mol
Exact Mass308.21
IUPAC Name4,7-dibutyl-5-phenyl-1,3-dihydro-2-benzofuran
SMILESCCCCc1cc(-c2ccccc2)c(CCCC)c2c1COC2
InChIInChI=1S/C22H28O/c1-3-5-10-18-14-20(17-11-8-7-9-12-17)19(13-6-4-2)22-16-23-15-21(18)22/h7-9,11-12,14H,3-6,10,13,15-16H2,1-2H3
InChIKeyLJEMHGPFWQQCLT-UHFFFAOYSA-N
XLogP6.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.46
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dibutyl-3,5-diphenylbenzene
CID 174699980
6-hexyl-4-phenyl-1,3-dihydro-2-benzofuran
CID 24976671
1,4-dibutyl-2-ethyl-5-(2-phenylphenyl)benzene
CID 174571021
(2-benzoyloxy-3-butyl-6-ethyl-4-phenylphenyl) benzoate
CID 87394111
(4,7-diphenyl-1,3-dihydro-2-benzofuran-5-yl)methanol
CID 15537597
2,5-dibutyl-3-phenylphenol
CID 122215941
1,3-dibutyl-2-ethyl-4-(4-phenylphenyl)benzene
CID 150071734
1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
1,2,3-tributyl-9H-fluorene
CID 90984374
1-bromo-4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylbenzene
CID 169036195
2-butyl-6-phenylbenzene-1,4-diol
CID 23109144
5-butyl-4-[4-[5-butyl-7-(2-phenylethynyl)-1,3-dihydro-2-benzofuran-4-yl]buta-1,3-diynyl]-7-(2-phenylethynyl)-1,3-dihydro-2-benzofuran
CID 101456813

Frequently Asked Questions

What is the IUPAC name of 4,7-dibutyl-5-phenyl-1,3-dihydro-2-benzofuran?
The IUPAC name of 4,7-dibutyl-5-phenyl-1,3-dihydro-2-benzofuran (CID 70876576) is 4,7-dibutyl-5-phenyl-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 4,7-dibutyl-5-phenyl-1,3-dihydro-2-benzofuran?
The canonical SMILES for 4,7-dibutyl-5-phenyl-1,3-dihydro-2-benzofuran is CCCCc1cc(-c2ccccc2)c(CCCC)c2c1COC2.
What is the InChIKey of 4,7-dibutyl-5-phenyl-1,3-dihydro-2-benzofuran?
The InChIKey is LJEMHGPFWQQCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O/c1-3-5-10-18-14-20(17-11-8-7-9-12-17)19(13-6-4-2)22-16-23-15-21(18)22/h7-9,11-12,14H,3-6,10,13,15-16H2,1-2H3.
What are the key properties of 4,7-dibutyl-5-phenyl-1,3-dihydro-2-benzofuran?
4,7-dibutyl-5-phenyl-1,3-dihydro-2-benzofuran has a molecular weight of 308.46 g/mol, XLogP of 6.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dibutyl-5-phenyl-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 70876576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).