4-chloro-2-[(hydroxyamino)methyl]-6-propan-2-ylphenol

C10H14ClNO2 — CID 117307336

IUPAC4-chloro-2-[(hydroxyamino)methyl]-6-propan-2-ylphenol
SMILESCC(C)c1cc(Cl)cc(CNO)c1O
InChIInChI=1S/C10H14ClNO2/c1-6(2)9-4-8(11)3-7(5-12-14)10(9)13/h3-4,6,12-14H,5H2,1-2H3
InChIKeyNCSWCJSOROBLAR-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.65
Rot. Bonds3

About 4-chloro-2-[(hydroxyamino)methyl]-6-propan-2-ylphenol

4-chloro-2-[(hydroxyamino)methyl]-6-propan-2-ylphenol (PubChem CID 117307336) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 4-chloro-2-[(hydroxyamino)methyl]-6-propan-2-ylphenol.

Molecular Properties

Compound Name4-chloro-2-[(hydroxyamino)methyl]-6-propan-2-ylphenol
PubChem CID117307336
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name4-chloro-2-[(hydroxyamino)methyl]-6-propan-2-ylphenol
SMILESCC(C)c1cc(Cl)cc(CNO)c1O
InChIInChI=1S/C10H14ClNO2/c1-6(2)9-4-8(11)3-7(5-12-14)10(9)13/h3-4,6,12-14H,5H2,1-2H3
InChIKeyNCSWCJSOROBLAR-UHFFFAOYSA-N
XLogP2.65
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-4-chloro-6-propan-2-ylphenol
CID 82265863
2-amino-3-(5-chloro-2-hydroxy-3-propan-2-ylphenyl)propanoic acid
CID 117397830
N-[(5-chloro-2-methoxy-4-propan-2-ylphenyl)methyl]hydroxylamine
CID 117331725
2-chloro-1-(5-chloro-2-hydroxy-3-propan-2-ylphenyl)ethanone
CID 82265856
N-tert-butyl-4-[[2-(5-chloro-2-hydroxy-3-propan-2-ylphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139348461
2,4-dichloro-6-[(2-methylpropoxyamino)methyl]phenol
CID 82709104
4-chloro-2,6-bis(1-hydroxyethyl)phenol
CID 21162833
2-chloro-6-[(hydroxyamino)methyl]-4-methoxyphenol
CID 117292196
4-chloro-2-methyl-6-(methylaminomethyl)phenol
CID 115978288
2,4-dichloro-6-[(2-methylbutylamino)methyl]phenol
CID 62693693
2-[(but-3-en-2-ylamino)methyl]-4,6-dichlorophenol
CID 115691167
2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117333208

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(hydroxyamino)methyl]-6-propan-2-ylphenol?
The IUPAC name of 4-chloro-2-[(hydroxyamino)methyl]-6-propan-2-ylphenol (CID 117307336) is 4-chloro-2-[(hydroxyamino)methyl]-6-propan-2-ylphenol.
What is the SMILES notation for 4-chloro-2-[(hydroxyamino)methyl]-6-propan-2-ylphenol?
The canonical SMILES for 4-chloro-2-[(hydroxyamino)methyl]-6-propan-2-ylphenol is CC(C)c1cc(Cl)cc(CNO)c1O.
What is the InChIKey of 4-chloro-2-[(hydroxyamino)methyl]-6-propan-2-ylphenol?
The InChIKey is NCSWCJSOROBLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-6(2)9-4-8(11)3-7(5-12-14)10(9)13/h3-4,6,12-14H,5H2,1-2H3.
What are the key properties of 4-chloro-2-[(hydroxyamino)methyl]-6-propan-2-ylphenol?
4-chloro-2-[(hydroxyamino)methyl]-6-propan-2-ylphenol has a molecular weight of 215.68 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(hydroxyamino)methyl]-6-propan-2-ylphenol is sourced from PubChem (CID 117307336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).