ethane;5-(2-methoxy-4-piperazin-1-ylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;vanadium;hydrate

C29H38N2O3V — CID 177319230

IUPACethane;5-(2-methoxy-4-piperazin-1-ylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;vanadium;hydrate
SMILESCC.COc1cc(N2CCNCC2)ccc1C1c2ccc(O)cc2CCC1c1ccccc1.O.[V]
InChIInChI=1S/C27H30N2O2.C2H6.H2O.V/c1-31-26-18-21(29-15-13-28-14-16-29)8-11-25(26)27-23(19-5-3-2-4-6-19)10-7-20-17-22(30)9-12-24(20)27;1-2;;/h2-6,8-9,11-12,17-18,23,27-28,30H,7,10,13-16H2,1H3;1-2H3;1H2;
InChIKeyUJHIEBXNQOLEIV-UHFFFAOYSA-N
MW513.58 g/mol
LogP4.87
Rot. Bonds4

About ethane;5-(2-methoxy-4-piperazin-1-ylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;vanadium;hydrate

ethane;5-(2-methoxy-4-piperazin-1-ylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;vanadium;hydrate (PubChem CID 177319230) has the molecular formula C29H38N2O3V and a molecular weight of 513.58 g/mol. Its IUPAC name is ethane;5-(2-methoxy-4-piperazin-1-ylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;vanadium;hydrate.

Molecular Properties

Compound Nameethane;5-(2-methoxy-4-piperazin-1-ylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;vanadium;hydrate
PubChem CID177319230
Molecular FormulaC29H38N2O3V
Molecular Weight513.58 g/mol
Exact Mass513.23
IUPAC Nameethane;5-(2-methoxy-4-piperazin-1-ylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;vanadium;hydrate
SMILESCC.COc1cc(N2CCNCC2)ccc1C1c2ccc(O)cc2CCC1c1ccccc1.O.[V]
InChIInChI=1S/C27H30N2O2.C2H6.H2O.V/c1-31-26-18-21(29-15-13-28-14-16-29)8-11-25(26)27-23(19-5-3-2-4-6-19)10-7-20-17-22(30)9-12-24(20)27;1-2;;/h2-6,8-9,11-12,17-18,23,27-28,30H,7,10,13-16H2,1H3;1-2H3;1H2;
InChIKeyUJHIEBXNQOLEIV-UHFFFAOYSA-N
XLogP4.87
TPSA76.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.58
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-fluorophenyl)-5-(2-methoxy-4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 177319058
(5R,6S)-6-phenyl-5-(4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 134579787
5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrolidine
CID 178025148
tert-butyl 4-[4-[(1S,2S)-2-(3-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxyphenyl]piperazine-1-carboxylate
CID 177266340
6-phenyl-5-[4-[4-(piperazin-1-ylmethyl)piperidin-1-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 176660829
2,2-dimethoxyethanol;ethane;(5R,6S)-6-phenyl-5-(4-pyrrolidin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 142368171
1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidine-4-carboxylic acid
CID 164923007
(5R)-6-phenyl-5-[4-(2-piperazin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 155031736
2-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-1,6-diazacycloundec-1-yl]acetic acid
CID 164924049
(6S)-5-[4-(2,7-diazaspiro[4.4]nonan-2-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 164923324
(5R,6S)-6-phenyl-5-(4-piperidin-4-yloxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 134582698
(3S)-3-[4-[1-[[7-[4-[(1S,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxyphenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]piperidin-4-yl]-2-methylanilino]piperidine-2,6-dione
CID 170729656

Frequently Asked Questions

What is the IUPAC name of ethane;5-(2-methoxy-4-piperazin-1-ylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;vanadium;hydrate?
The IUPAC name of ethane;5-(2-methoxy-4-piperazin-1-ylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;vanadium;hydrate (CID 177319230) is ethane;5-(2-methoxy-4-piperazin-1-ylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;vanadium;hydrate.
What is the SMILES notation for ethane;5-(2-methoxy-4-piperazin-1-ylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;vanadium;hydrate?
The canonical SMILES for ethane;5-(2-methoxy-4-piperazin-1-ylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;vanadium;hydrate is CC.COc1cc(N2CCNCC2)ccc1C1c2ccc(O)cc2CCC1c1ccccc1.O.[V].
What is the InChIKey of ethane;5-(2-methoxy-4-piperazin-1-ylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;vanadium;hydrate?
The InChIKey is UJHIEBXNQOLEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2.C2H6.H2O.V/c1-31-26-18-21(29-15-13-28-14-16-29)8-11-25(26)27-23(19-5-3-2-4-6-19)10-7-20-17-22(30)9-12-24(20)27;1-2;;/h2-6,8-9,11-12,17-18,23,27-28,30H,7,10,13-16H2,1H3;1-2H3;1H2;.
What are the key properties of ethane;5-(2-methoxy-4-piperazin-1-ylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;vanadium;hydrate?
ethane;5-(2-methoxy-4-piperazin-1-ylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;vanadium;hydrate has a molecular weight of 513.58 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(2-methoxy-4-piperazin-1-ylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;vanadium;hydrate is sourced from PubChem (CID 177319230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).