[2,6-dimethyl-4-(nitrosomethyl)phenyl]methanol

C10H13NO2 — CID 145272360

IUPAC[2,6-dimethyl-4-(nitrosomethyl)phenyl]methanol
SMILESCc1cc(CN=O)cc(C)c1CO
InChIInChI=1S/C10H13NO2/c1-7-3-9(5-11-13)4-8(2)10(7)6-12/h3-4,12H,5-6H2,1-2H3
InChIKeyWPTMPKLJZYEHKJ-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.06
Rot. Bonds3

About [2,6-dimethyl-4-(nitrosomethyl)phenyl]methanol

[2,6-dimethyl-4-(nitrosomethyl)phenyl]methanol (PubChem CID 145272360) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is [2,6-dimethyl-4-(nitrosomethyl)phenyl]methanol.

Molecular Properties

Compound Name[2,6-dimethyl-4-(nitrosomethyl)phenyl]methanol
PubChem CID145272360
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name[2,6-dimethyl-4-(nitrosomethyl)phenyl]methanol
SMILESCc1cc(CN=O)cc(C)c1CO
InChIInChI=1S/C10H13NO2/c1-7-3-9(5-11-13)4-8(2)10(7)6-12/h3-4,12H,5-6H2,1-2H3
InChIKeyWPTMPKLJZYEHKJ-UHFFFAOYSA-N
XLogP2.06
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2,6-dimethyl-4-(nitrosomethyl)phenyl]methanol?
The IUPAC name of [2,6-dimethyl-4-(nitrosomethyl)phenyl]methanol (CID 145272360) is [2,6-dimethyl-4-(nitrosomethyl)phenyl]methanol.
What is the SMILES notation for [2,6-dimethyl-4-(nitrosomethyl)phenyl]methanol?
The canonical SMILES for [2,6-dimethyl-4-(nitrosomethyl)phenyl]methanol is Cc1cc(CN=O)cc(C)c1CO.
What is the InChIKey of [2,6-dimethyl-4-(nitrosomethyl)phenyl]methanol?
The InChIKey is WPTMPKLJZYEHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-3-9(5-11-13)4-8(2)10(7)6-12/h3-4,12H,5-6H2,1-2H3.
What are the key properties of [2,6-dimethyl-4-(nitrosomethyl)phenyl]methanol?
[2,6-dimethyl-4-(nitrosomethyl)phenyl]methanol has a molecular weight of 179.22 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dimethyl-4-(nitrosomethyl)phenyl]methanol is sourced from PubChem (CID 145272360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).