1-[(4-methoxyphenyl)methyl]-3-nitrosoindol-2-ol

C16H14N2O3 — CID 2142444

IUPAC1-[(4-methoxyphenyl)methyl]-3-nitrosoindol-2-ol
SMILESCOc1ccc(Cn2c(O)c(N=O)c3ccccc32)cc1
InChIInChI=1S/C16H14N2O3/c1-21-12-8-6-11(7-9-12)10-18-14-5-3-2-4-13(14)15(17-20)16(18)19/h2-9,19H,10H2,1H3
InChIKeyTWYBXPYKZGTPCQ-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.80
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-3-nitrosoindol-2-ol

1-[(4-methoxyphenyl)methyl]-3-nitrosoindol-2-ol (PubChem CID 2142444) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-nitrosoindol-2-ol.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-nitrosoindol-2-ol
PubChem CID2142444
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-nitrosoindol-2-ol
SMILESCOc1ccc(Cn2c(O)c(N=O)c3ccccc32)cc1
InChIInChI=1S/C16H14N2O3/c1-21-12-8-6-11(7-9-12)10-18-14-5-3-2-4-13(14)15(17-20)16(18)19/h2-9,19H,10H2,1H3
InChIKeyTWYBXPYKZGTPCQ-UHFFFAOYSA-N
XLogP3.80
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-nitrosoindol-2-ol
CID 135574983
1-benzyl-3-nitrosoindol-2-ol;5-fluoro-1-[(4-fluorophenyl)methyl]-3-nitrosoindol-2-ol
CID 161156786
1-[3-(4-methylphenoxy)propyl]-3-nitrosoindol-2-ol
CID 135575003
1-benzyl-3-nitrosoindol-2-ol;1-[(2-nitrophenyl)methyl]-3-nitrosoindol-2-ol
CID 157445350
1-[[1-(3-methoxypropyl)benzimidazol-2-yl]methyl]-3-nitrosoindol-2-ol
CID 135730689
N-[2-[[1-[(3,4-dichlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 3544064
5-chloro-3-nitroso-1-[(4-pentoxyphenyl)methyl]indol-2-ol
CID 135575223
N-[1-(azepan-1-ium-1-ylmethyl)-2-hydroxyindol-3-yl]imino-2-(4-methoxyphenyl)acetamide
CID 2316617
methyl 2-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate
CID 1270570
3-hydroxy-4-(3-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one
CID 101462188
2-(4-methoxyphenyl)-1-methyl-3-nitrosoindole
CID 155676892
methyl 3-[[1-[(4-bromophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]thiophene-2-carboxylate
CID 3374035

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-nitrosoindol-2-ol?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-nitrosoindol-2-ol (CID 2142444) is 1-[(4-methoxyphenyl)methyl]-3-nitrosoindol-2-ol.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-nitrosoindol-2-ol?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-nitrosoindol-2-ol is COc1ccc(Cn2c(O)c(N=O)c3ccccc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-nitrosoindol-2-ol?
The InChIKey is TWYBXPYKZGTPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-21-12-8-6-11(7-9-12)10-18-14-5-3-2-4-13(14)15(17-20)16(18)19/h2-9,19H,10H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-nitrosoindol-2-ol?
1-[(4-methoxyphenyl)methyl]-3-nitrosoindol-2-ol has a molecular weight of 282.30 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-nitrosoindol-2-ol is sourced from PubChem (CID 2142444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).