2-[[[2-hydroxy-3-(2-hydroxypropyl)phenyl]methylidenehydrazinylidene]methyl]-6-(2-hydroxypropyl)phenol

C20H24N2O4 — CID 136651800

IUPAC2-[[[2-hydroxy-3-(2-hydroxypropyl)phenyl]methylidenehydrazinylidene]methyl]-6-(2-hydroxypropyl)phenol
SMILESCC(O)Cc1cccc(C=NN=Cc2cccc(CC(C)O)c2O)c1O
InChIInChI=1S/C20H24N2O4/c1-13(23)9-15-5-3-7-17(19(15)25)11-21-22-12-18-8-4-6-16(20(18)26)10-14(2)24/h3-8,11-14,23-26H,9-10H2,1-2H3
InChIKeyMHNFAAHVPGGWTB-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.40
Rot. Bonds7

About 2-[[[2-hydroxy-3-(2-hydroxypropyl)phenyl]methylidenehydrazinylidene]methyl]-6-(2-hydroxypropyl)phenol

2-[[[2-hydroxy-3-(2-hydroxypropyl)phenyl]methylidenehydrazinylidene]methyl]-6-(2-hydroxypropyl)phenol (PubChem CID 136651800) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-[[[2-hydroxy-3-(2-hydroxypropyl)phenyl]methylidenehydrazinylidene]methyl]-6-(2-hydroxypropyl)phenol.

Molecular Properties

Compound Name2-[[[2-hydroxy-3-(2-hydroxypropyl)phenyl]methylidenehydrazinylidene]methyl]-6-(2-hydroxypropyl)phenol
PubChem CID136651800
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-[[[2-hydroxy-3-(2-hydroxypropyl)phenyl]methylidenehydrazinylidene]methyl]-6-(2-hydroxypropyl)phenol
SMILESCC(O)Cc1cccc(C=NN=Cc2cccc(CC(C)O)c2O)c1O
InChIInChI=1S/C20H24N2O4/c1-13(23)9-15-5-3-7-17(19(15)25)11-21-22-12-18-8-4-6-16(20(18)26)10-14(2)24/h3-8,11-14,23-26H,9-10H2,1-2H3
InChIKeyMHNFAAHVPGGWTB-UHFFFAOYSA-N
XLogP2.40
TPSA105.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-[[(2-hydroxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]methyl]-6-prop-2-enylphenol
CID 2279280
2-[(Z)-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]methyl]-6-prop-2-enylphenol
CID 136912023
2-(2-hydroxypropyl)-6-(trifluoromethyl)phenol
CID 117313740
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
1-[2-[(E)-2-phenylethenyl]phenyl]propan-2-ol
CID 158078399
2-hydroxy-6-[(2S)-2-hydroxypropyl]benzoic acid
CID 162921751
3-chloro-6-(2-hydroxypropyl)benzene-1,2-diol
CID 117291165
3-fluoro-6-(2-hydroxypropyl)benzene-1,2-diol
CID 117280370
4-[[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2,3-triol
CID 171138438
1-(2,3-dichlorophenyl)propan-2-ol;methanol
CID 144705964
1-[2,3-bis(aminomethyl)phenyl]propan-2-ol
CID 101292367
1-(2-chloro-3-methylphenyl)propan-2-ol
CID 117279944

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-hydroxy-3-(2-hydroxypropyl)phenyl]methylidenehydrazinylidene]methyl]-6-(2-hydroxypropyl)phenol?
The IUPAC name of 2-[[[2-hydroxy-3-(2-hydroxypropyl)phenyl]methylidenehydrazinylidene]methyl]-6-(2-hydroxypropyl)phenol (CID 136651800) is 2-[[[2-hydroxy-3-(2-hydroxypropyl)phenyl]methylidenehydrazinylidene]methyl]-6-(2-hydroxypropyl)phenol.
What is the SMILES notation for 2-[[[2-hydroxy-3-(2-hydroxypropyl)phenyl]methylidenehydrazinylidene]methyl]-6-(2-hydroxypropyl)phenol?
The canonical SMILES for 2-[[[2-hydroxy-3-(2-hydroxypropyl)phenyl]methylidenehydrazinylidene]methyl]-6-(2-hydroxypropyl)phenol is CC(O)Cc1cccc(C=NN=Cc2cccc(CC(C)O)c2O)c1O.
What is the InChIKey of 2-[[[2-hydroxy-3-(2-hydroxypropyl)phenyl]methylidenehydrazinylidene]methyl]-6-(2-hydroxypropyl)phenol?
The InChIKey is MHNFAAHVPGGWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-13(23)9-15-5-3-7-17(19(15)25)11-21-22-12-18-8-4-6-16(20(18)26)10-14(2)24/h3-8,11-14,23-26H,9-10H2,1-2H3.
What are the key properties of 2-[[[2-hydroxy-3-(2-hydroxypropyl)phenyl]methylidenehydrazinylidene]methyl]-6-(2-hydroxypropyl)phenol?
2-[[[2-hydroxy-3-(2-hydroxypropyl)phenyl]methylidenehydrazinylidene]methyl]-6-(2-hydroxypropyl)phenol has a molecular weight of 356.42 g/mol, XLogP of 2.40, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-hydroxy-3-(2-hydroxypropyl)phenyl]methylidenehydrazinylidene]methyl]-6-(2-hydroxypropyl)phenol is sourced from PubChem (CID 136651800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).