(2-ethyl-4-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone

C19H18O3 — CID 177260422

IUPAC(2-ethyl-4-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
SMILESCCc1oc2cccc(C)c2c1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H18O3/c1-4-15-18(17-12(2)6-5-7-16(17)22-15)19(20)13-8-10-14(21-3)11-9-13/h5-11H,4H2,1-3H3
InChIKeyRAUDYZKKRRXLNY-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.54
Rot. Bonds4

About (2-ethyl-4-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone

(2-ethyl-4-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone (PubChem CID 177260422) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2-ethyl-4-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2-ethyl-4-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
PubChem CID177260422
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name(2-ethyl-4-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
SMILESCCc1oc2cccc(C)c2c1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H18O3/c1-4-15-18(17-12(2)6-5-7-16(17)22-15)19(20)13-8-10-14(21-3)11-9-13/h5-11H,4H2,1-3H3
InChIKeyRAUDYZKKRRXLNY-UHFFFAOYSA-N
XLogP4.54
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 177260414
(4-methoxyphenyl)-(4,5,6,7-tetradeuterio-2-ethyl-1-benzofuran-3-yl)methanone
CID 155287233
(6-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 177260397
(4-methoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 54103779
(3-butyl-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone
CID 160606304
3-(4-methoxybenzoyl)-4-(2-methylphenyl)chromen-2-one
CID 102502970
(5-amino-2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 70653167
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methanone
CID 43160962
(4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 6613416
(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
methyl 2-[4-(2-ethyl-1-benzofuran-3-carbonyl)-2-methylphenoxy]acetate
CID 139697202

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (2-ethyl-4-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone (CID 177260422) is (2-ethyl-4-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (2-ethyl-4-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (2-ethyl-4-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone is CCc1oc2cccc(C)c2c1C(=O)c1ccc(OC)cc1.
What is the InChIKey of (2-ethyl-4-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The InChIKey is RAUDYZKKRRXLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-4-15-18(17-12(2)6-5-7-16(17)22-15)19(20)13-8-10-14(21-3)11-9-13/h5-11H,4H2,1-3H3.
What are the key properties of (2-ethyl-4-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
(2-ethyl-4-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone has a molecular weight of 294.35 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 177260422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).