3-ethyl-2-methyl-6-phenyl-1-benzofuran

C17H16O — CID 167310518

IUPAC3-ethyl-2-methyl-6-phenyl-1-benzofuran
SMILESCCc1c(C)oc2cc(-c3ccccc3)ccc12
InChIInChI=1S/C17H16O/c1-3-15-12(2)18-17-11-14(9-10-16(15)17)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
InChIKeyBYXSSQUILXMGFG-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.97
Rot. Bonds2

About 3-ethyl-2-methyl-6-phenyl-1-benzofuran

3-ethyl-2-methyl-6-phenyl-1-benzofuran (PubChem CID 167310518) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-ethyl-2-methyl-6-phenyl-1-benzofuran.

Molecular Properties

Compound Name3-ethyl-2-methyl-6-phenyl-1-benzofuran
PubChem CID167310518
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name3-ethyl-2-methyl-6-phenyl-1-benzofuran
SMILESCCc1c(C)oc2cc(-c3ccccc3)ccc12
InChIInChI=1S/C17H16O/c1-3-15-12(2)18-17-11-14(9-10-16(15)17)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
InChIKeyBYXSSQUILXMGFG-UHFFFAOYSA-N
XLogP4.97
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-[3-(7-ethyltriphenylen-2-yl)-5-methylphenyl]-2-phenyldibenzofuran
CID 121287192
3,4-dimethyl-7-phenyldibenzofuran
CID 167687602
3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964733
2-phenyl-4-(4-phenylphenyl)-6-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 166952902
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N,4-diphenylaniline
CID 138651647
ethyl 2-methyl-4-oxo-6-phenylchromene-3-carboxylate
CID 134867655
7-[4-methyl-3-(5-phenyl-2-propylphenyl)phenyl]-17-(8-phenyldibenzofuran-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene
CID 143904980
9-(3-ethylphenyl)naphtho[2,1-b][1]benzofuran
CID 123472121
5-phenyl-3-propyl-1-benzofuran-2-carboxylic acid
CID 62381402
10-[3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]phenyl]-11H-benzo[a]carbazole
CID 142569223
2-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine
CID 177130958
N,N,17-triphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171049996

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-6-phenyl-1-benzofuran?
The IUPAC name of 3-ethyl-2-methyl-6-phenyl-1-benzofuran (CID 167310518) is 3-ethyl-2-methyl-6-phenyl-1-benzofuran.
What is the SMILES notation for 3-ethyl-2-methyl-6-phenyl-1-benzofuran?
The canonical SMILES for 3-ethyl-2-methyl-6-phenyl-1-benzofuran is CCc1c(C)oc2cc(-c3ccccc3)ccc12.
What is the InChIKey of 3-ethyl-2-methyl-6-phenyl-1-benzofuran?
The InChIKey is BYXSSQUILXMGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-3-15-12(2)18-17-11-14(9-10-16(15)17)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3.
What are the key properties of 3-ethyl-2-methyl-6-phenyl-1-benzofuran?
3-ethyl-2-methyl-6-phenyl-1-benzofuran has a molecular weight of 236.31 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-6-phenyl-1-benzofuran is sourced from PubChem (CID 167310518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).