2-[(1R)-1-(4-methoxyphenyl)-2,3-dihydroinden-1-yl]acetonitrile

C18H17NO — CID 102389675

IUPAC2-[(1R)-1-(4-methoxyphenyl)-2,3-dihydroinden-1-yl]acetonitrile
SMILESCOc1ccc([C@]2(CC#N)CCc3ccccc32)cc1
InChIInChI=1S/C18H17NO/c1-20-16-8-6-15(7-9-16)18(12-13-19)11-10-14-4-2-3-5-17(14)18/h2-9H,10-12H2,1H3/t18-/m1/s1
InChIKeySVSAAQANKAHONA-GOSISDBHSA-N
MW263.34 g/mol
LogP3.84
Rot. Bonds3

About 2-[(1R)-1-(4-methoxyphenyl)-2,3-dihydroinden-1-yl]acetonitrile

2-[(1R)-1-(4-methoxyphenyl)-2,3-dihydroinden-1-yl]acetonitrile (PubChem CID 102389675) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(1R)-1-(4-methoxyphenyl)-2,3-dihydroinden-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[(1R)-1-(4-methoxyphenyl)-2,3-dihydroinden-1-yl]acetonitrile
PubChem CID102389675
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name2-[(1R)-1-(4-methoxyphenyl)-2,3-dihydroinden-1-yl]acetonitrile
SMILESCOc1ccc([C@]2(CC#N)CCc3ccccc32)cc1
InChIInChI=1S/C18H17NO/c1-20-16-8-6-15(7-9-16)18(12-13-19)11-10-14-4-2-3-5-17(14)18/h2-9H,10-12H2,1H3/t18-/m1/s1
InChIKeySVSAAQANKAHONA-GOSISDBHSA-N
XLogP3.84
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-methoxyphenyl)cyclopropyl]acetonitrile
CID 58155388
1-(cyanomethyl)-7-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 12629985
2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)acetonitrile
CID 11769906
3-[1-(4-methoxyphenyl)-3H-2-benzofuran-1-yl]propanenitrile
CID 132576519
(1S)-1-(cyanomethyl)-2,3-dihydroindene-1-carbonitrile
CID 6925451
1-(cyanomethyl)-5-methoxy-2,3-dihydroindene-1-carbonitrile
CID 12938512
4-(4-methoxyphenyl)-3-methyl-4-prop-2-enyl-2,3-dihydro-1H-naphthalene
CID 172756052
2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)acetonitrile
CID 115511264
1-(3-methoxyphenyl)-2,3-dihydroinden-1-amine
CID 54919051
1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
CID 15163149
9,9-bis(4-methoxyphenyl)fluorene;ethane
CID 159536685
2-(4-methoxyphenyl)-1,3-dihydroinden-2-ol
CID 15112860

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(4-methoxyphenyl)-2,3-dihydroinden-1-yl]acetonitrile?
The IUPAC name of 2-[(1R)-1-(4-methoxyphenyl)-2,3-dihydroinden-1-yl]acetonitrile (CID 102389675) is 2-[(1R)-1-(4-methoxyphenyl)-2,3-dihydroinden-1-yl]acetonitrile.
What is the SMILES notation for 2-[(1R)-1-(4-methoxyphenyl)-2,3-dihydroinden-1-yl]acetonitrile?
The canonical SMILES for 2-[(1R)-1-(4-methoxyphenyl)-2,3-dihydroinden-1-yl]acetonitrile is COc1ccc([C@]2(CC#N)CCc3ccccc32)cc1.
What is the InChIKey of 2-[(1R)-1-(4-methoxyphenyl)-2,3-dihydroinden-1-yl]acetonitrile?
The InChIKey is SVSAAQANKAHONA-GOSISDBHSA-N. The full InChI is InChI=1S/C18H17NO/c1-20-16-8-6-15(7-9-16)18(12-13-19)11-10-14-4-2-3-5-17(14)18/h2-9H,10-12H2,1H3/t18-/m1/s1.
What are the key properties of 2-[(1R)-1-(4-methoxyphenyl)-2,3-dihydroinden-1-yl]acetonitrile?
2-[(1R)-1-(4-methoxyphenyl)-2,3-dihydroinden-1-yl]acetonitrile has a molecular weight of 263.34 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(4-methoxyphenyl)-2,3-dihydroinden-1-yl]acetonitrile is sourced from PubChem (CID 102389675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).