2-chloro-6-[(E)-hydroxyiminomethyl]-4-(2,4,4-trimethylpentan-2-yl)phenol

C15H22ClNO2 — CID 135441932

IUPAC2-chloro-6-[(E)-hydroxyiminomethyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1cc(Cl)c(O)c(/C=N/O)c1
InChIInChI=1S/C15H22ClNO2/c1-14(2,3)9-15(4,5)11-6-10(8-17-19)13(18)12(16)7-11/h6-8,18-19H,9H2,1-5H3/b17-8+
InChIKeyGKVNHPFPIOVDLX-CAOOACKPSA-N
MW283.80 g/mol
LogP4.57
Rot. Bonds3

About 2-chloro-6-[(E)-hydroxyiminomethyl]-4-(2,4,4-trimethylpentan-2-yl)phenol

2-chloro-6-[(E)-hydroxyiminomethyl]-4-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 135441932) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-chloro-6-[(E)-hydroxyiminomethyl]-4-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name2-chloro-6-[(E)-hydroxyiminomethyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID135441932
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name2-chloro-6-[(E)-hydroxyiminomethyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1cc(Cl)c(O)c(/C=N/O)c1
InChIInChI=1S/C15H22ClNO2/c1-14(2,3)9-15(4,5)11-6-10(8-17-19)13(18)12(16)7-11/h6-8,18-19H,9H2,1-5H3/b17-8+
InChIKeyGKVNHPFPIOVDLX-CAOOACKPSA-N
XLogP4.57
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(E)-hydroxyiminomethyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 2-chloro-6-[(E)-hydroxyiminomethyl]-4-(2,4,4-trimethylpentan-2-yl)phenol (CID 135441932) is 2-chloro-6-[(E)-hydroxyiminomethyl]-4-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 2-chloro-6-[(E)-hydroxyiminomethyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 2-chloro-6-[(E)-hydroxyiminomethyl]-4-(2,4,4-trimethylpentan-2-yl)phenol is CC(C)(C)CC(C)(C)c1cc(Cl)c(O)c(/C=N/O)c1.
What is the InChIKey of 2-chloro-6-[(E)-hydroxyiminomethyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is GKVNHPFPIOVDLX-CAOOACKPSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-14(2,3)9-15(4,5)11-6-10(8-17-19)13(18)12(16)7-11/h6-8,18-19H,9H2,1-5H3/b17-8+.
What are the key properties of 2-chloro-6-[(E)-hydroxyiminomethyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
2-chloro-6-[(E)-hydroxyiminomethyl]-4-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 283.80 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(E)-hydroxyiminomethyl]-4-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 135441932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).