(4-methoxyphenyl)iminovanadium;tris((1R)-1-phenylethanol)

C31H37NO4V — CID 177409236

IUPAC(4-methoxyphenyl)iminovanadium;tris((1R)-1-phenylethanol)
SMILESCOc1ccc(N=[V])cc1.C[C@@H](O)c1ccccc1.C[C@@H](O)c1ccccc1.C[C@@H](O)c1ccccc1
InChIInChI=1S/3C8H10O.C7H7NO.V/c3*1-7(9)8-5-3-2-4-6-8;1-9-7-4-2-6(8)3-5-7;/h3*2-7,9H,1H3;2-5H,1H3;/t3*7-;;/m111../s1
InChIKeyIHSSAFACTWLEAQ-RIJSFFQBSA-N
MW538.58 g/mol
LogP7.28
Rot. Bonds5

About (4-methoxyphenyl)iminovanadium;tris((1R)-1-phenylethanol)

(4-methoxyphenyl)iminovanadium;tris((1R)-1-phenylethanol) (PubChem CID 177409236) has the molecular formula C31H37NO4V and a molecular weight of 538.58 g/mol. Its IUPAC name is (4-methoxyphenyl)iminovanadium;tris((1R)-1-phenylethanol).

Molecular Properties

Compound Name(4-methoxyphenyl)iminovanadium;tris((1R)-1-phenylethanol)
PubChem CID177409236
Molecular FormulaC31H37NO4V
Molecular Weight538.58 g/mol
Exact Mass538.22
IUPAC Name(4-methoxyphenyl)iminovanadium;tris((1R)-1-phenylethanol)
SMILESCOc1ccc(N=[V])cc1.C[C@@H](O)c1ccccc1.C[C@@H](O)c1ccccc1.C[C@@H](O)c1ccccc1
InChIInChI=1S/3C8H10O.C7H7NO.V/c3*1-7(9)8-5-3-2-4-6-8;1-9-7-4-2-6(8)3-5-7;/h3*2-7,9H,1H3;2-5H,1H3;/t3*7-;;/m111../s1
InChIKeyIHSSAFACTWLEAQ-RIJSFFQBSA-N
XLogP7.28
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.58
LogP ≤ 57.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

CID 175713586
CID 175713586
(1S)-1-phenylethanol
CID 157125626
(1S)-1-[4-(4-methoxyphenoxy)phenyl]ethanol
CID 63372514
azane;(1R)-1-phenylethanol
CID 126646564
1-(1-iodoethyl)-4-methoxybenzene;1-(4-methoxyphenyl)ethanol
CID 158169844
(1R,2S)-1-(4-methoxyphenoxy)-1-phenylpropan-2-ol
CID 135066400
1-(2-chlorophenyl)ethanol;1-(4-methoxyphenyl)ethanol
CID 166540851
(1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol
CID 102174473
carbanide;(1R)-1-phenylethanol;zinc
CID 177390370
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)iminovanadium;tris((1R)-1-phenylethanol)?
The IUPAC name of (4-methoxyphenyl)iminovanadium;tris((1R)-1-phenylethanol) (CID 177409236) is (4-methoxyphenyl)iminovanadium;tris((1R)-1-phenylethanol).
What is the SMILES notation for (4-methoxyphenyl)iminovanadium;tris((1R)-1-phenylethanol)?
The canonical SMILES for (4-methoxyphenyl)iminovanadium;tris((1R)-1-phenylethanol) is COc1ccc(N=[V])cc1.C[C@@H](O)c1ccccc1.C[C@@H](O)c1ccccc1.C[C@@H](O)c1ccccc1.
What is the InChIKey of (4-methoxyphenyl)iminovanadium;tris((1R)-1-phenylethanol)?
The InChIKey is IHSSAFACTWLEAQ-RIJSFFQBSA-N. The full InChI is InChI=1S/3C8H10O.C7H7NO.V/c3*1-7(9)8-5-3-2-4-6-8;1-9-7-4-2-6(8)3-5-7;/h3*2-7,9H,1H3;2-5H,1H3;/t3*7-;;/m111../s1.
What are the key properties of (4-methoxyphenyl)iminovanadium;tris((1R)-1-phenylethanol)?
(4-methoxyphenyl)iminovanadium;tris((1R)-1-phenylethanol) has a molecular weight of 538.58 g/mol, XLogP of 7.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)iminovanadium;tris((1R)-1-phenylethanol) is sourced from PubChem (CID 177409236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).