1-benzofuran-2-yl-(3-methoxy-2-propylphenyl)methanone

C19H18O3 — CID 172762456

IUPAC1-benzofuran-2-yl-(3-methoxy-2-propylphenyl)methanone
SMILESCCCc1c(OC)cccc1C(=O)c1cc2ccccc2o1
InChIInChI=1S/C19H18O3/c1-3-7-14-15(9-6-11-17(14)21-2)19(20)18-12-13-8-4-5-10-16(13)22-18/h4-6,8-12H,3,7H2,1-2H3
InChIKeyLWGVCUNPVQBOAT-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.62
Rot. Bonds5

About 1-benzofuran-2-yl-(3-methoxy-2-propylphenyl)methanone

1-benzofuran-2-yl-(3-methoxy-2-propylphenyl)methanone (PubChem CID 172762456) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(3-methoxy-2-propylphenyl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(3-methoxy-2-propylphenyl)methanone
PubChem CID172762456
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name1-benzofuran-2-yl-(3-methoxy-2-propylphenyl)methanone
SMILESCCCc1c(OC)cccc1C(=O)c1cc2ccccc2o1
InChIInChI=1S/C19H18O3/c1-3-7-14-15(9-6-11-17(14)21-2)19(20)18-12-13-8-4-5-10-16(13)22-18/h4-6,8-12H,3,7H2,1-2H3
InChIKeyLWGVCUNPVQBOAT-UHFFFAOYSA-N
XLogP4.62
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-2-yl-(2-ethyl-3-hydroxyphenyl)methanone
CID 141300148
N-[4-(1-benzofuran-2-carbonyl)phenyl]-2-methoxybenzamide
CID 42571061
1-(7-methoxy-1-benzofuran-2-yl)propan-1-one
CID 65427049
3-(1-benzofuran-2-carbonyl)-5-ethoxy-7-methylchromen-2-one
CID 87692885
N'-[2-(2-methoxyphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 7719982
(2S)-1-(1-benzofuran-2-yl)-2-(ethylamino)propan-1-one
CID 171632707
1-(1-benzofuran-2-yl)pentane-1,3-dione
CID 28896262
(4-methoxyphenyl) 1-benzofuran-2-carboxylate
CID 659898
N-[2-(1-benzofuran-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 99809958
1-benzofuran-2-yl-(3-methylazulen-1-yl)methanone
CID 11055263
[2-(1-benzofuran-2-carbonyl)-3-pentan-2-yloxyphenyl]thiourea
CID 87658255
[2-oxo-2-(4-propylphenyl)ethyl] 1-benzofuran-2-carboxylate
CID 7210520

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(3-methoxy-2-propylphenyl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(3-methoxy-2-propylphenyl)methanone (CID 172762456) is 1-benzofuran-2-yl-(3-methoxy-2-propylphenyl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(3-methoxy-2-propylphenyl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(3-methoxy-2-propylphenyl)methanone is CCCc1c(OC)cccc1C(=O)c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-yl-(3-methoxy-2-propylphenyl)methanone?
The InChIKey is LWGVCUNPVQBOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-3-7-14-15(9-6-11-17(14)21-2)19(20)18-12-13-8-4-5-10-16(13)22-18/h4-6,8-12H,3,7H2,1-2H3.
What are the key properties of 1-benzofuran-2-yl-(3-methoxy-2-propylphenyl)methanone?
1-benzofuran-2-yl-(3-methoxy-2-propylphenyl)methanone has a molecular weight of 294.35 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(3-methoxy-2-propylphenyl)methanone is sourced from PubChem (CID 172762456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).