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

C16H14N2O2 — CID 2766806

IUPAC1-[(4-methylphenyl)methyl]-3-nitrosoindol-2-ol
SMILESCc1ccc(Cn2c(O)c(N=O)c3ccccc32)cc1
InChIInChI=1S/C16H14N2O2/c1-11-6-8-12(9-7-11)10-18-14-5-3-2-4-13(14)15(17-20)16(18)19/h2-9,19H,10H2,1H3
InChIKeyGXRVRQQUGMJOES-UHFFFAOYSA-N
MW266.30 g/mol
LogP4.10
Rot. Bonds3

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

1-[(4-methylphenyl)methyl]-3-nitrosoindol-2-ol (PubChem CID 2766806) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-nitrosoindol-2-ol.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-nitrosoindol-2-ol
PubChem CID2766806
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name1-[(4-methylphenyl)methyl]-3-nitrosoindol-2-ol
SMILESCc1ccc(Cn2c(O)c(N=O)c3ccccc32)cc1
InChIInChI=1S/C16H14N2O2/c1-11-6-8-12(9-7-11)10-18-14-5-3-2-4-13(14)15(17-20)16(18)19/h2-9,19H,10H2,1H3
InChIKeyGXRVRQQUGMJOES-UHFFFAOYSA-N
XLogP4.10
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-nitrosoindol-2-ol?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-nitrosoindol-2-ol (CID 2766806) is 1-[(4-methylphenyl)methyl]-3-nitrosoindol-2-ol.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-nitrosoindol-2-ol?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-nitrosoindol-2-ol is Cc1ccc(Cn2c(O)c(N=O)c3ccccc32)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-nitrosoindol-2-ol?
The InChIKey is GXRVRQQUGMJOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-6-8-12(9-7-11)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-methylphenyl)methyl]-3-nitrosoindol-2-ol?
1-[(4-methylphenyl)methyl]-3-nitrosoindol-2-ol has a molecular weight of 266.30 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-nitrosoindol-2-ol is sourced from PubChem (CID 2766806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).