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

C16H17ClN2O — CID 169382336

IUPAC2-chloro-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol
SMILESCC(C)c1cc(Cl)c(O)c(C=NNc2ccccc2)c1
InChIInChI=1S/C16H17ClN2O/c1-11(2)12-8-13(16(20)15(17)9-12)10-18-19-14-6-4-3-5-7-14/h3-11,19-20H,1-2H3
InChIKeyWUVOMZDJNCMMNN-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.61
Rot. Bonds4

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

2-chloro-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol (PubChem CID 169382336) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-chloro-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol.

Molecular Properties

Compound Name2-chloro-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol
PubChem CID169382336
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-chloro-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol
SMILESCC(C)c1cc(Cl)c(O)c(C=NNc2ccccc2)c1
InChIInChI=1S/C16H17ClN2O/c1-11(2)12-8-13(16(20)15(17)9-12)10-18-19-14-6-4-3-5-7-14/h3-11,19-20H,1-2H3
InChIKeyWUVOMZDJNCMMNN-UHFFFAOYSA-N
XLogP4.61
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol
CID 169382296
2-[2-[(3-chloro-2-hydroxy-5-propan-2-ylphenyl)methylidene]hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
CID 168570845
2,4-dichloro-6-[(E)-[(4-sulfanylphenyl)hydrazinylidene]methyl]phenol
CID 143199865
4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol
CID 4071998
N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]aniline
CID 169382884
1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(4-propan-2-ylphenyl)thiourea
CID 135487591
4-bromo-2-chloro-6-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 137084979
4-[2-[(2-chlorophenyl)methylidene]hydrazinyl]phenol
CID 4174590
1-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-[(1R)-1-phenylethyl]thiourea
CID 136870139
2-[(Z)-(phenylhydrazinylidene)methyl]-5-propan-2-yloxyphenol
CID 137068734
(2R)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 136909038
N-[(E)-[3-[(E)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide
CID 135455074

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol?
The IUPAC name of 2-chloro-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol (CID 169382336) is 2-chloro-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol.
What is the SMILES notation for 2-chloro-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol?
The canonical SMILES for 2-chloro-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol is CC(C)c1cc(Cl)c(O)c(C=NNc2ccccc2)c1.
What is the InChIKey of 2-chloro-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol?
The InChIKey is WUVOMZDJNCMMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11(2)12-8-13(16(20)15(17)9-12)10-18-19-14-6-4-3-5-7-14/h3-11,19-20H,1-2H3.
What are the key properties of 2-chloro-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol?
2-chloro-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol has a molecular weight of 288.78 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol is sourced from PubChem (CID 169382336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).