6-(4-hydroxyphenyl)-5-[[4-[[4-(4-hydroxyphenyl)piperazin-1-yl]methoxy]phenyl]methyl]naphthalen-2-ol

C34H32N2O4 — CID 18675947

IUPAC6-(4-hydroxyphenyl)-5-[[4-[[4-(4-hydroxyphenyl)piperazin-1-yl]methoxy]phenyl]methyl]naphthalen-2-ol
SMILESOc1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCN3CCN(c4ccc(O)cc4)CC3)cc2)cc1
InChIInChI=1S/C34H32N2O4/c37-28-8-3-25(4-9-28)32-15-5-26-22-30(39)12-16-33(26)34(32)21-24-1-13-31(14-2-24)40-23-35-17-19-36(20-18-35)27-6-10-29(38)11-7-27/h1-16,22,37-39H,17-21,23H2
InChIKeyQGBZELQZHKOGDK-UHFFFAOYSA-N
MW532.64 g/mol
LogP6.37
Rot. Bonds7

About 6-(4-hydroxyphenyl)-5-[[4-[[4-(4-hydroxyphenyl)piperazin-1-yl]methoxy]phenyl]methyl]naphthalen-2-ol

6-(4-hydroxyphenyl)-5-[[4-[[4-(4-hydroxyphenyl)piperazin-1-yl]methoxy]phenyl]methyl]naphthalen-2-ol (PubChem CID 18675947) has the molecular formula C34H32N2O4 and a molecular weight of 532.64 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-5-[[4-[[4-(4-hydroxyphenyl)piperazin-1-yl]methoxy]phenyl]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-(4-hydroxyphenyl)-5-[[4-[[4-(4-hydroxyphenyl)piperazin-1-yl]methoxy]phenyl]methyl]naphthalen-2-ol
PubChem CID18675947
Molecular FormulaC34H32N2O4
Molecular Weight532.64 g/mol
Exact Mass532.24
IUPAC Name6-(4-hydroxyphenyl)-5-[[4-[[4-(4-hydroxyphenyl)piperazin-1-yl]methoxy]phenyl]methyl]naphthalen-2-ol
SMILESOc1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCN3CCN(c4ccc(O)cc4)CC3)cc2)cc1
InChIInChI=1S/C34H32N2O4/c37-28-8-3-25(4-9-28)32-15-5-26-22-30(39)12-16-33(26)34(32)21-24-1-13-31(14-2-24)40-23-35-17-19-36(20-18-35)27-6-10-29(38)11-7-27/h1-16,22,37-39H,17-21,23H2
InChIKeyQGBZELQZHKOGDK-UHFFFAOYSA-N
XLogP6.37
TPSA76.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.64
LogP ≤ 56.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-(4-hydroxyphenyl)-5-[[4-[[4-(4-hydroxyphenyl)piperazin-1-yl]methoxy]phenyl]methyl]naphthalen-2-ol with MolForge

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Related Compounds

2,8-Dihydroxy-5-[4-[2-(1-piperidinyl)ethoxy]phenyl]-6H-benzo[c]phenanthridine
CID 10412249
1-((4-Methoxyanilino)methyl)-2-naphthol
CID 240945
1-Phenyl-4-(3-(1,2,3,4-tetrahydro-7-methoxy-1-naphthalenyl)propyl)piperazine
CID 10406491
1-[3-(6-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10473986
1-[2-(7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
CID 10617866
1-[2-(6-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
CID 10760347
6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol
CID 4881824
4-[4-[(2-Methoxynaphtho[2,1-f][1,3]benzodioxol-5-yl)methyl]piperazin-1-yl]phenol
CID 16749047
1-(4-Methoxyphenyl)-4-[2-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 145968741
3-[4-(4-Methoxyphenyl)piperazino]-1-(2-naphthyl)-1-propanol
CID 4147302
(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(1,2,3,4,5,6,7,8-octahydrophenanthren-9-yloxy)propan-2-ol
CID 54764163
1-Phenyl-4-[2-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 145968775

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenyl)-5-[[4-[[4-(4-hydroxyphenyl)piperazin-1-yl]methoxy]phenyl]methyl]naphthalen-2-ol?
The IUPAC name of 6-(4-hydroxyphenyl)-5-[[4-[[4-(4-hydroxyphenyl)piperazin-1-yl]methoxy]phenyl]methyl]naphthalen-2-ol (CID 18675947) is 6-(4-hydroxyphenyl)-5-[[4-[[4-(4-hydroxyphenyl)piperazin-1-yl]methoxy]phenyl]methyl]naphthalen-2-ol.
What is the SMILES notation for 6-(4-hydroxyphenyl)-5-[[4-[[4-(4-hydroxyphenyl)piperazin-1-yl]methoxy]phenyl]methyl]naphthalen-2-ol?
The canonical SMILES for 6-(4-hydroxyphenyl)-5-[[4-[[4-(4-hydroxyphenyl)piperazin-1-yl]methoxy]phenyl]methyl]naphthalen-2-ol is Oc1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCN3CCN(c4ccc(O)cc4)CC3)cc2)cc1.
What is the InChIKey of 6-(4-hydroxyphenyl)-5-[[4-[[4-(4-hydroxyphenyl)piperazin-1-yl]methoxy]phenyl]methyl]naphthalen-2-ol?
The InChIKey is QGBZELQZHKOGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2O4/c37-28-8-3-25(4-9-28)32-15-5-26-22-30(39)12-16-33(26)34(32)21-24-1-13-31(14-2-24)40-23-35-17-19-36(20-18-35)27-6-10-29(38)11-7-27/h1-16,22,37-39H,17-21,23H2.
What are the key properties of 6-(4-hydroxyphenyl)-5-[[4-[[4-(4-hydroxyphenyl)piperazin-1-yl]methoxy]phenyl]methyl]naphthalen-2-ol?
6-(4-hydroxyphenyl)-5-[[4-[[4-(4-hydroxyphenyl)piperazin-1-yl]methoxy]phenyl]methyl]naphthalen-2-ol has a molecular weight of 532.64 g/mol, XLogP of 6.37, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyphenyl)-5-[[4-[[4-(4-hydroxyphenyl)piperazin-1-yl]methoxy]phenyl]methyl]naphthalen-2-ol is sourced from PubChem (CID 18675947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).