(5Z)-5-(dimethylhydrazinylidene)-2-[(4-methoxyphenyl)methoxy]-4,7,7-trimethylcyclohept-3-en-1-ol

C20H30N2O3 — CID 22922373

IUPAC(5Z)-5-(dimethylhydrazinylidene)-2-[(4-methoxyphenyl)methoxy]-4,7,7-trimethylcyclohept-3-en-1-ol
SMILESCOc1ccc(COC2C=C(C)/C(=N\N(C)C)CC(C)(C)C2O)cc1
InChIInChI=1S/C20H30N2O3/c1-14-11-18(25-13-15-7-9-16(24-6)10-8-15)19(23)20(2,3)12-17(14)21-22(4)5/h7-11,18-19,23H,12-13H2,1-6H3/b21-17-
InChIKeyZZJOVVXWUXNQMM-FXBPSFAMSA-N
MW346.47 g/mol
LogP3.24
Rot. Bonds5

About (5Z)-5-(dimethylhydrazinylidene)-2-[(4-methoxyphenyl)methoxy]-4,7,7-trimethylcyclohept-3-en-1-ol

(5Z)-5-(dimethylhydrazinylidene)-2-[(4-methoxyphenyl)methoxy]-4,7,7-trimethylcyclohept-3-en-1-ol (PubChem CID 22922373) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (5Z)-5-(dimethylhydrazinylidene)-2-[(4-methoxyphenyl)methoxy]-4,7,7-trimethylcyclohept-3-en-1-ol.

Molecular Properties

Compound Name(5Z)-5-(dimethylhydrazinylidene)-2-[(4-methoxyphenyl)methoxy]-4,7,7-trimethylcyclohept-3-en-1-ol
PubChem CID22922373
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(5Z)-5-(dimethylhydrazinylidene)-2-[(4-methoxyphenyl)methoxy]-4,7,7-trimethylcyclohept-3-en-1-ol
SMILESCOc1ccc(COC2C=C(C)/C(=N\N(C)C)CC(C)(C)C2O)cc1
InChIInChI=1S/C20H30N2O3/c1-14-11-18(25-13-15-7-9-16(24-6)10-8-15)19(23)20(2,3)12-17(14)21-22(4)5/h7-11,18-19,23H,12-13H2,1-6H3/b21-17-
InChIKeyZZJOVVXWUXNQMM-FXBPSFAMSA-N
XLogP3.24
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5Z)-5-(dimethylhydrazinylidene)-2-[(4-methoxyphenyl)methoxy]-4,7,7-trimethylcyclohept-3-en-1-ol with MolForge

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Launch Full Analysis

Related Compounds

5-hydroxy-4-[(4-methoxyphenyl)methoxy]-2,6,6-trimethylcyclohept-2-en-1-one
CID 22922331
(1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol
CID 91096427
(1R,3S,7R,9R)-8-[(4-methoxyphenyl)methoxy]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol
CID 11646597
6-[(4-methoxyphenyl)methoxy]-7,7-dimethylcyclohept-3-en-1-ol
CID 162420333
(1S,2S,3R,4R,5S,6S)-2-[(4-methoxyphenyl)methoxy]-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 11039611
(1S,2R,3R,4S,5S,6R)-3-[(4-methoxyphenyl)methoxy]-4,5,6-tris(prop-2-enoxy)cyclohexane-1,2-diol
CID 10502229
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
(1R,3S,4R,6R)-5-[(4-methoxyphenyl)methoxy]-2,4,6-tris(phenylmethoxy)cyclohexane-1,3-diol
CID 11071884
trans-(1R,2R)-2-[(4-methoxyphenyl)methoxy]cycloheptan-1-ol
CID 16720719
6-[(4-methoxyphenyl)methoxy]-2,5-dimethyl-3H-azepine
CID 118372987
(1R,3S,4R)-2-[(4-methoxyphenyl)methoxy]-3,4-bis(phenylmethoxy)cyclohexan-1-ol
CID 90854427
8,9-bis[(4-methoxyphenyl)methoxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol
CID 11842161

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(dimethylhydrazinylidene)-2-[(4-methoxyphenyl)methoxy]-4,7,7-trimethylcyclohept-3-en-1-ol?
The IUPAC name of (5Z)-5-(dimethylhydrazinylidene)-2-[(4-methoxyphenyl)methoxy]-4,7,7-trimethylcyclohept-3-en-1-ol (CID 22922373) is (5Z)-5-(dimethylhydrazinylidene)-2-[(4-methoxyphenyl)methoxy]-4,7,7-trimethylcyclohept-3-en-1-ol.
What is the SMILES notation for (5Z)-5-(dimethylhydrazinylidene)-2-[(4-methoxyphenyl)methoxy]-4,7,7-trimethylcyclohept-3-en-1-ol?
The canonical SMILES for (5Z)-5-(dimethylhydrazinylidene)-2-[(4-methoxyphenyl)methoxy]-4,7,7-trimethylcyclohept-3-en-1-ol is COc1ccc(COC2C=C(C)/C(=N\N(C)C)CC(C)(C)C2O)cc1.
What is the InChIKey of (5Z)-5-(dimethylhydrazinylidene)-2-[(4-methoxyphenyl)methoxy]-4,7,7-trimethylcyclohept-3-en-1-ol?
The InChIKey is ZZJOVVXWUXNQMM-FXBPSFAMSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-14-11-18(25-13-15-7-9-16(24-6)10-8-15)19(23)20(2,3)12-17(14)21-22(4)5/h7-11,18-19,23H,12-13H2,1-6H3/b21-17-.
What are the key properties of (5Z)-5-(dimethylhydrazinylidene)-2-[(4-methoxyphenyl)methoxy]-4,7,7-trimethylcyclohept-3-en-1-ol?
(5Z)-5-(dimethylhydrazinylidene)-2-[(4-methoxyphenyl)methoxy]-4,7,7-trimethylcyclohept-3-en-1-ol has a molecular weight of 346.47 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(dimethylhydrazinylidene)-2-[(4-methoxyphenyl)methoxy]-4,7,7-trimethylcyclohept-3-en-1-ol is sourced from PubChem (CID 22922373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).