1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-nitrosoindol-2-ol

C19H20N2O4 — CID 135574983

IUPAC1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-nitrosoindol-2-ol
SMILESCOc1cc(Cn2c(O)c(N=O)c3ccccc32)ccc1OC(C)C
InChIInChI=1S/C19H20N2O4/c1-12(2)25-16-9-8-13(10-17(16)24-3)11-21-15-7-5-4-6-14(15)18(20-23)19(21)22/h4-10,12,22H,11H2,1-3H3
InChIKeyOYVSUDJKFNCURT-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.59
Rot. Bonds6

About 1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-nitrosoindol-2-ol

1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-nitrosoindol-2-ol (PubChem CID 135574983) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-nitrosoindol-2-ol.

Molecular Properties

Compound Name1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-nitrosoindol-2-ol
PubChem CID135574983
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-nitrosoindol-2-ol
SMILESCOc1cc(Cn2c(O)c(N=O)c3ccccc32)ccc1OC(C)C
InChIInChI=1S/C19H20N2O4/c1-12(2)25-16-9-8-13(10-17(16)24-3)11-21-15-7-5-4-6-14(15)18(20-23)19(21)22/h4-10,12,22H,11H2,1-3H3
InChIKeyOYVSUDJKFNCURT-UHFFFAOYSA-N
XLogP4.59
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-methoxyphenyl)methyl]-3-nitrosoindol-2-ol
CID 2142444
1-benzyl-3-nitrosoindol-2-ol;5-fluoro-1-[(4-fluorophenyl)methyl]-3-nitrosoindol-2-ol
CID 161156786
1-[(3-methoxy-4-pentoxyphenyl)methyl]-7-methyl-3-nitrosoindol-2-ol
CID 135575083
5-bromo-1-[(4-ethoxy-3-methoxyphenyl)methyl]-7-methyl-3-nitrosoindol-2-ol
CID 135575127
1-[1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-2-yl]ethanol
CID 3835157
1-benzyl-3-nitrosoindol-2-ol;1-[(2-nitrophenyl)methyl]-3-nitrosoindol-2-ol
CID 157445350
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
CID 28611814
1-[[1-(3-methoxypropyl)benzimidazol-2-yl]methyl]-3-nitrosoindol-2-ol
CID 135730689
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenoxypropanamide
CID 132652449
3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46764441
1-(3-chloro-4-methoxyphenyl)-3-[2-hydroxy-1-[(3-methylphenyl)methyl]indol-3-yl]iminothiourea
CID 4124725
1-[(3-benzylphenyl)methyl]-5-chloro-3-nitrosoindol-2-ol
CID 136505223

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-nitrosoindol-2-ol?
The IUPAC name of 1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-nitrosoindol-2-ol (CID 135574983) is 1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-nitrosoindol-2-ol.
What is the SMILES notation for 1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-nitrosoindol-2-ol?
The canonical SMILES for 1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-nitrosoindol-2-ol is COc1cc(Cn2c(O)c(N=O)c3ccccc32)ccc1OC(C)C.
What is the InChIKey of 1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-nitrosoindol-2-ol?
The InChIKey is OYVSUDJKFNCURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12(2)25-16-9-8-13(10-17(16)24-3)11-21-15-7-5-4-6-14(15)18(20-23)19(21)22/h4-10,12,22H,11H2,1-3H3.
What are the key properties of 1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-nitrosoindol-2-ol?
1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-nitrosoindol-2-ol has a molecular weight of 340.38 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-nitrosoindol-2-ol is sourced from PubChem (CID 135574983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).