2-ethyl-3-[(E)-2-[(4-methoxyphenyl)methyl]but-1-enyl]-5-methyl-1-benzofuran

C23H26O2 — CID 142970496

IUPAC2-ethyl-3-[(E)-2-[(4-methoxyphenyl)methyl]but-1-enyl]-5-methyl-1-benzofuran
SMILESCC/C(=C\c1c(CC)oc2ccc(C)cc12)Cc1ccc(OC)cc1
InChIInChI=1S/C23H26O2/c1-5-17(14-18-8-10-19(24-4)11-9-18)15-21-20-13-16(3)7-12-23(20)25-22(21)6-2/h7-13,15H,5-6,14H2,1-4H3/b17-15+
InChIKeyLKSSRVAWNAFDPL-BMRADRMJSA-N
MW334.46 g/mol
LogP6.35
Rot. Bonds6

About 2-ethyl-3-[(E)-2-[(4-methoxyphenyl)methyl]but-1-enyl]-5-methyl-1-benzofuran

2-ethyl-3-[(E)-2-[(4-methoxyphenyl)methyl]but-1-enyl]-5-methyl-1-benzofuran (PubChem CID 142970496) has the molecular formula C23H26O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-ethyl-3-[(E)-2-[(4-methoxyphenyl)methyl]but-1-enyl]-5-methyl-1-benzofuran.

Molecular Properties

Compound Name2-ethyl-3-[(E)-2-[(4-methoxyphenyl)methyl]but-1-enyl]-5-methyl-1-benzofuran
PubChem CID142970496
Molecular FormulaC23H26O2
Molecular Weight334.46 g/mol
Exact Mass334.19
IUPAC Name2-ethyl-3-[(E)-2-[(4-methoxyphenyl)methyl]but-1-enyl]-5-methyl-1-benzofuran
SMILESCC/C(=C\c1c(CC)oc2ccc(C)cc12)Cc1ccc(OC)cc1
InChIInChI=1S/C23H26O2/c1-5-17(14-18-8-10-19(24-4)11-9-18)15-21-20-13-16(3)7-12-23(20)25-22(21)6-2/h7-13,15H,5-6,14H2,1-4H3/b17-15+
InChIKeyLKSSRVAWNAFDPL-BMRADRMJSA-N
XLogP6.35
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-5-methyl-1-benzofuran-3-amine
CID 82372673
(Z)-1-(2-ethyl-1-benzofuran-3-yl)-N-[(E)-[1-(2-ethyl-1-benzofuran-3-yl)-2-(4-methoxyphenyl)ethylidene]amino]-2-(4-methoxyphenyl)ethanimine
CID 101116773
2-[4-(4-methoxyphenyl)-6-methyl-2-oxochromen-3-yl]acetic acid
CID 134912016
1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene
CID 157430816
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-1-benzofuran
CID 141261100
5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 53081245
2-methoxy-7-methyldibenzofuran
CID 122387372
2-ethyl-5-[(4-methoxyphenyl)methyl]-3-methylfuran
CID 25243035
10-methoxy-2-methylnaphtho[2,3-c]chromen-6-one
CID 15262080
1-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanone
CID 43337271
3-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1-benzofuran-5-carbonitrile
CID 142634011
1-[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea
CID 9086021

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[(E)-2-[(4-methoxyphenyl)methyl]but-1-enyl]-5-methyl-1-benzofuran?
The IUPAC name of 2-ethyl-3-[(E)-2-[(4-methoxyphenyl)methyl]but-1-enyl]-5-methyl-1-benzofuran (CID 142970496) is 2-ethyl-3-[(E)-2-[(4-methoxyphenyl)methyl]but-1-enyl]-5-methyl-1-benzofuran.
What is the SMILES notation for 2-ethyl-3-[(E)-2-[(4-methoxyphenyl)methyl]but-1-enyl]-5-methyl-1-benzofuran?
The canonical SMILES for 2-ethyl-3-[(E)-2-[(4-methoxyphenyl)methyl]but-1-enyl]-5-methyl-1-benzofuran is CC/C(=C\c1c(CC)oc2ccc(C)cc12)Cc1ccc(OC)cc1.
What is the InChIKey of 2-ethyl-3-[(E)-2-[(4-methoxyphenyl)methyl]but-1-enyl]-5-methyl-1-benzofuran?
The InChIKey is LKSSRVAWNAFDPL-BMRADRMJSA-N. The full InChI is InChI=1S/C23H26O2/c1-5-17(14-18-8-10-19(24-4)11-9-18)15-21-20-13-16(3)7-12-23(20)25-22(21)6-2/h7-13,15H,5-6,14H2,1-4H3/b17-15+.
What are the key properties of 2-ethyl-3-[(E)-2-[(4-methoxyphenyl)methyl]but-1-enyl]-5-methyl-1-benzofuran?
2-ethyl-3-[(E)-2-[(4-methoxyphenyl)methyl]but-1-enyl]-5-methyl-1-benzofuran has a molecular weight of 334.46 g/mol, XLogP of 6.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[(E)-2-[(4-methoxyphenyl)methyl]but-1-enyl]-5-methyl-1-benzofuran is sourced from PubChem (CID 142970496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).