ethane;(2-hydroxy-4-methoxy-5-propan-2-ylphenyl)-(5-methyl-1,3-dihydroisoindol-2-yl)methanone

C22H29NO3 — CID 176552286

IUPACethane;(2-hydroxy-4-methoxy-5-propan-2-ylphenyl)-(5-methyl-1,3-dihydroisoindol-2-yl)methanone
SMILESCC.COc1cc(O)c(C(=O)N2Cc3ccc(C)cc3C2)cc1C(C)C
InChIInChI=1S/C20H23NO3.C2H6/c1-12(2)16-8-17(18(22)9-19(16)24-4)20(23)21-10-14-6-5-13(3)7-15(14)11-21;1-2/h5-9,12,22H,10-11H2,1-4H3;1-2H3
InChIKeyZCHDUIXGOSRQNW-UHFFFAOYSA-N
MW355.48 g/mol
LogP5.01
Rot. Bonds3

About ethane;(2-hydroxy-4-methoxy-5-propan-2-ylphenyl)-(5-methyl-1,3-dihydroisoindol-2-yl)methanone

ethane;(2-hydroxy-4-methoxy-5-propan-2-ylphenyl)-(5-methyl-1,3-dihydroisoindol-2-yl)methanone (PubChem CID 176552286) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is ethane;(2-hydroxy-4-methoxy-5-propan-2-ylphenyl)-(5-methyl-1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Nameethane;(2-hydroxy-4-methoxy-5-propan-2-ylphenyl)-(5-methyl-1,3-dihydroisoindol-2-yl)methanone
PubChem CID176552286
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Nameethane;(2-hydroxy-4-methoxy-5-propan-2-ylphenyl)-(5-methyl-1,3-dihydroisoindol-2-yl)methanone
SMILESCC.COc1cc(O)c(C(=O)N2Cc3ccc(C)cc3C2)cc1C(C)C
InChIInChI=1S/C20H23NO3.C2H6/c1-12(2)16-8-17(18(22)9-19(16)24-4)20(23)21-10-14-6-5-13(3)7-15(14)11-21;1-2/h5-9,12,22H,10-11H2,1-4H3;1-2H3
InChIKeyZCHDUIXGOSRQNW-UHFFFAOYSA-N
XLogP5.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;(2-hydroxy-4-methoxy-5-propan-2-ylphenyl)-(5-methyl-1,3-dihydroisoindol-2-yl)methanone with MolForge

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Related Compounds

Onalespib
CID 11955716
5-adamantan-1-yl-N-(2,4-dihydroxybenzyl)-2,4-dimethoxybenzamide
CID 57328615
5-adamantan-1-yl-N-(2,4-dihydroxybenzyl)-2-hydroxy-4-methoxybenzamide
CID 57328616
4-(1,3-Dihydro-2h-Isoindol-2-Ylcarbonyl)-6-(1-Methylethyl)benzene-1,3-Diol
CID 11849171
4-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol
CID 25058141
(S)-(4-Isopropyl-phenyl)-(2-methyl-3-oxo-5,7-dipropyl-2,3-dihydro-benzo[d]isoxazol-6-yloxy)-acetic acid
CID 6540257
4-(1,3-Dihydro-2h-Isoindol-2-Ylcarbonyl)benzene-1,3-Diol
CID 11955507
1,3-Dihydroisoindol-2-yl-(2-hydroxy-4-methoxy-5-propan-2-yl-phenyl)methanone
CID 11955555
(9as)-8-Acetyl-N-[(2-Ethylnaphthalen-1-Yl)methyl]-1,7-Dihydroxy-3-Methoxy-9a-Methyl-9-Oxo-9,9a-Dihydrodibenzo[b,D]furan-4-Carboxamide
CID 16066147
Hericerin
CID 102195678
1,3-Dihydroisoindol-2-yl-(5-ethyl-2,4-dihydroxyphenyl)methanone
CID 11955467
[5-(3-Amino-propoxy)-1,3-dihydro-isoindol-2-yl]-(2,4-dihydroxy-5-isopropyl-phenyl)-methanone
CID 11955509

Frequently Asked Questions

What is the IUPAC name of ethane;(2-hydroxy-4-methoxy-5-propan-2-ylphenyl)-(5-methyl-1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of ethane;(2-hydroxy-4-methoxy-5-propan-2-ylphenyl)-(5-methyl-1,3-dihydroisoindol-2-yl)methanone (CID 176552286) is ethane;(2-hydroxy-4-methoxy-5-propan-2-ylphenyl)-(5-methyl-1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for ethane;(2-hydroxy-4-methoxy-5-propan-2-ylphenyl)-(5-methyl-1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for ethane;(2-hydroxy-4-methoxy-5-propan-2-ylphenyl)-(5-methyl-1,3-dihydroisoindol-2-yl)methanone is CC.COc1cc(O)c(C(=O)N2Cc3ccc(C)cc3C2)cc1C(C)C.
What is the InChIKey of ethane;(2-hydroxy-4-methoxy-5-propan-2-ylphenyl)-(5-methyl-1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is ZCHDUIXGOSRQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3.C2H6/c1-12(2)16-8-17(18(22)9-19(16)24-4)20(23)21-10-14-6-5-13(3)7-15(14)11-21;1-2/h5-9,12,22H,10-11H2,1-4H3;1-2H3.
What are the key properties of ethane;(2-hydroxy-4-methoxy-5-propan-2-ylphenyl)-(5-methyl-1,3-dihydroisoindol-2-yl)methanone?
ethane;(2-hydroxy-4-methoxy-5-propan-2-ylphenyl)-(5-methyl-1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 355.48 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-hydroxy-4-methoxy-5-propan-2-ylphenyl)-(5-methyl-1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 176552286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).