6-hexyl-4-phenyl-1,3-dihydro-2-benzofuran

C20H24O — CID 24976671

IUPAC6-hexyl-4-phenyl-1,3-dihydro-2-benzofuran
SMILESCCCCCCc1cc2c(c(-c3ccccc3)c1)COC2
InChIInChI=1S/C20H24O/c1-2-3-4-6-9-16-12-18-14-21-15-20(18)19(13-16)17-10-7-5-8-11-17/h5,7-8,10-13H,2-4,6,9,14-15H2,1H3
InChIKeyGHKNAZZCBQORHL-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.51
Rot. Bonds6

About 6-hexyl-4-phenyl-1,3-dihydro-2-benzofuran

6-hexyl-4-phenyl-1,3-dihydro-2-benzofuran (PubChem CID 24976671) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 6-hexyl-4-phenyl-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name6-hexyl-4-phenyl-1,3-dihydro-2-benzofuran
PubChem CID24976671
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name6-hexyl-4-phenyl-1,3-dihydro-2-benzofuran
SMILESCCCCCCc1cc2c(c(-c3ccccc3)c1)COC2
InChIInChI=1S/C20H24O/c1-2-3-4-6-9-16-12-18-14-21-15-20(18)19(13-16)17-10-7-5-8-11-17/h5,7-8,10-13H,2-4,6,9,14-15H2,1H3
InChIKeyGHKNAZZCBQORHL-UHFFFAOYSA-N
XLogP5.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 101406191
2-methyl-4-nonyl-6-phenylphenol
CID 174342860
4,7-dibutyl-5-phenyl-1,3-dihydro-2-benzofuran
CID 70876576
(5-hexyl-2,3-diphenylphenyl)-trimethylsilane
CID 102204410
1,4-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 141240736
1-hexyl-4-(2-phenylphenyl)benzene;sulfane
CID 158588704
4-pentyl-2-phenylphenol
CID 154147556
2-chloro-4-pentyl-1-phenylbenzene
CID 139836929
4-pentyl-2-phenylbenzonitrile
CID 156772995
5-hexyl-2-methyl-3-phenylpyridine
CID 102336326
1-pentadecyl-4-phenylbenzene
CID 57166115
pentanonacontylbenzene
CID 165359347

Frequently Asked Questions

What is the IUPAC name of 6-hexyl-4-phenyl-1,3-dihydro-2-benzofuran?
The IUPAC name of 6-hexyl-4-phenyl-1,3-dihydro-2-benzofuran (CID 24976671) is 6-hexyl-4-phenyl-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 6-hexyl-4-phenyl-1,3-dihydro-2-benzofuran?
The canonical SMILES for 6-hexyl-4-phenyl-1,3-dihydro-2-benzofuran is CCCCCCc1cc2c(c(-c3ccccc3)c1)COC2.
What is the InChIKey of 6-hexyl-4-phenyl-1,3-dihydro-2-benzofuran?
The InChIKey is GHKNAZZCBQORHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-2-3-4-6-9-16-12-18-14-21-15-20(18)19(13-16)17-10-7-5-8-11-17/h5,7-8,10-13H,2-4,6,9,14-15H2,1H3.
What are the key properties of 6-hexyl-4-phenyl-1,3-dihydro-2-benzofuran?
6-hexyl-4-phenyl-1,3-dihydro-2-benzofuran has a molecular weight of 280.41 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexyl-4-phenyl-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 24976671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).