1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)cyclopropane-1-carbonitrile

C20H17NO2 — CID 170356731

IUPAC1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)cyclopropane-1-carbonitrile
SMILESCc1oc2ccc(OCc3ccccc3)cc2c1C1(C#N)CC1
InChIInChI=1S/C20H17NO2/c1-14-19(20(13-21)9-10-20)17-11-16(7-8-18(17)23-14)22-12-15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3
InChIKeyPTPALFXMCZSKHU-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.88
Rot. Bonds4

About 1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)cyclopropane-1-carbonitrile

1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)cyclopropane-1-carbonitrile (PubChem CID 170356731) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)cyclopropane-1-carbonitrile
PubChem CID170356731
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)cyclopropane-1-carbonitrile
SMILESCc1oc2ccc(OCc3ccccc3)cc2c1C1(C#N)CC1
InChIInChI=1S/C20H17NO2/c1-14-19(20(13-21)9-10-20)17-11-16(7-8-18(17)23-14)22-12-15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3
InChIKeyPTPALFXMCZSKHU-UHFFFAOYSA-N
XLogP4.88
TPSA46.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(oxetan-3-yl)-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379359
2-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)pyrimidine-4-carboxylic acid
CID 170356732
N-(1-ethylpiperidin-4-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379581
2-methyl-N-methylsulfonyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379631
carbanide;2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide;osmium(1+);pyrrolidine
CID 163379705
5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 163379683
1-methyl-4-(2-phenyl-5-phenylmethoxy-1-benzofuran-3-yl)piperazine
CID 13020578
5-[(3-bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 979577
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379373
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379668
N-cyclopropylsulfonyl-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379602
4-methyl-7-phenylmethoxychromen-2-one
CID 728520

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)cyclopropane-1-carbonitrile (CID 170356731) is 1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)cyclopropane-1-carbonitrile is Cc1oc2ccc(OCc3ccccc3)cc2c1C1(C#N)CC1.
What is the InChIKey of 1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)cyclopropane-1-carbonitrile?
The InChIKey is PTPALFXMCZSKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-14-19(20(13-21)9-10-20)17-11-16(7-8-18(17)23-14)22-12-15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3.
What are the key properties of 1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)cyclopropane-1-carbonitrile?
1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)cyclopropane-1-carbonitrile has a molecular weight of 303.36 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 170356731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).