4-[2-(4-hydroxyphenyl)-4-[4-(4-methoxy-N-(3-methoxyphenyl)anilino)phenyl]butan-2-yl]phenol

C36H35NO4 — CID 20580176

IUPAC4-[2-(4-hydroxyphenyl)-4-[4-(4-methoxy-N-(3-methoxyphenyl)anilino)phenyl]butan-2-yl]phenol
SMILESCOc1ccc(N(c2ccc(CCC(C)(c3ccc(O)cc3)c3ccc(O)cc3)cc2)c2cccc(OC)c2)cc1
InChIInChI=1S/C36H35NO4/c1-36(27-9-17-32(38)18-10-27,28-11-19-33(39)20-12-28)24-23-26-7-13-29(14-8-26)37(30-15-21-34(40-2)22-16-30)31-5-4-6-35(25-31)41-3/h4-22,25,38-39H,23-24H2,1-3H3
InChIKeyGCLJQCFWKZOEIG-UHFFFAOYSA-N
MW545.68 g/mol
LogP8.52
Rot. Bonds10

About 4-[2-(4-hydroxyphenyl)-4-[4-(4-methoxy-N-(3-methoxyphenyl)anilino)phenyl]butan-2-yl]phenol

4-[2-(4-hydroxyphenyl)-4-[4-(4-methoxy-N-(3-methoxyphenyl)anilino)phenyl]butan-2-yl]phenol (PubChem CID 20580176) has the molecular formula C36H35NO4 and a molecular weight of 545.68 g/mol. Its IUPAC name is 4-[2-(4-hydroxyphenyl)-4-[4-(4-methoxy-N-(3-methoxyphenyl)anilino)phenyl]butan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-(4-hydroxyphenyl)-4-[4-(4-methoxy-N-(3-methoxyphenyl)anilino)phenyl]butan-2-yl]phenol
PubChem CID20580176
Molecular FormulaC36H35NO4
Molecular Weight545.68 g/mol
Exact Mass545.26
IUPAC Name4-[2-(4-hydroxyphenyl)-4-[4-(4-methoxy-N-(3-methoxyphenyl)anilino)phenyl]butan-2-yl]phenol
SMILESCOc1ccc(N(c2ccc(CCC(C)(c3ccc(O)cc3)c3ccc(O)cc3)cc2)c2cccc(OC)c2)cc1
InChIInChI=1S/C36H35NO4/c1-36(27-9-17-32(38)18-10-27,28-11-19-33(39)20-12-28)24-23-26-7-13-29(14-8-26)37(30-15-21-34(40-2)22-16-30)31-5-4-6-35(25-31)41-3/h4-22,25,38-39H,23-24H2,1-3H3
InChIKeyGCLJQCFWKZOEIG-UHFFFAOYSA-N
XLogP8.52
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.68
LogP ≤ 58.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3,3-bis(3-methoxyphenyl)butyl]phenyl]-3-methoxy-N-phenylaniline
CID 20580199
1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine
CID 22900292
4-[2-(4-methoxyphenyl)butan-2-yl]phenol
CID 57308830
4-[2-(4-hydroxyphenyl)-4-phenylbutan-2-yl]phenol
CID 14250443
3-methoxy-N-(3-methoxyphenyl)-N-(4-methylphenyl)aniline
CID 23399554
4-[1-[4-(N-(3,4-dimethylphenyl)anilino)phenoxy]-2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 20580185
4-(3-methoxy-N-(3-methoxyphenyl)anilino)benzoic acid
CID 139957869
1-methoxy-4-[1,1,3-tris(4-methoxyphenyl)propyl]benzene
CID 22900338
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;hydrate
CID 161136163
N-[4-[4-[bis[4-[4-(3-methoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(3-methoxyphenyl)-3-methylaniline
CID 160641057
3-methoxy-N-[4-[2-[4-(3-methoxy-N-(3-methoxyphenyl)anilino)phenyl]ethynyl]phenyl]-N-(3-methoxyphenyl)aniline
CID 18996817
2-[4-[4-(N-tert-butyl-4-methoxyanilino)-N-(3-tert-butylphenyl)anilino]phenyl]acetaldehyde
CID 134426039

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxyphenyl)-4-[4-(4-methoxy-N-(3-methoxyphenyl)anilino)phenyl]butan-2-yl]phenol?
The IUPAC name of 4-[2-(4-hydroxyphenyl)-4-[4-(4-methoxy-N-(3-methoxyphenyl)anilino)phenyl]butan-2-yl]phenol (CID 20580176) is 4-[2-(4-hydroxyphenyl)-4-[4-(4-methoxy-N-(3-methoxyphenyl)anilino)phenyl]butan-2-yl]phenol.
What is the SMILES notation for 4-[2-(4-hydroxyphenyl)-4-[4-(4-methoxy-N-(3-methoxyphenyl)anilino)phenyl]butan-2-yl]phenol?
The canonical SMILES for 4-[2-(4-hydroxyphenyl)-4-[4-(4-methoxy-N-(3-methoxyphenyl)anilino)phenyl]butan-2-yl]phenol is COc1ccc(N(c2ccc(CCC(C)(c3ccc(O)cc3)c3ccc(O)cc3)cc2)c2cccc(OC)c2)cc1.
What is the InChIKey of 4-[2-(4-hydroxyphenyl)-4-[4-(4-methoxy-N-(3-methoxyphenyl)anilino)phenyl]butan-2-yl]phenol?
The InChIKey is GCLJQCFWKZOEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35NO4/c1-36(27-9-17-32(38)18-10-27,28-11-19-33(39)20-12-28)24-23-26-7-13-29(14-8-26)37(30-15-21-34(40-2)22-16-30)31-5-4-6-35(25-31)41-3/h4-22,25,38-39H,23-24H2,1-3H3.
What are the key properties of 4-[2-(4-hydroxyphenyl)-4-[4-(4-methoxy-N-(3-methoxyphenyl)anilino)phenyl]butan-2-yl]phenol?
4-[2-(4-hydroxyphenyl)-4-[4-(4-methoxy-N-(3-methoxyphenyl)anilino)phenyl]butan-2-yl]phenol has a molecular weight of 545.68 g/mol, XLogP of 8.52, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxyphenyl)-4-[4-(4-methoxy-N-(3-methoxyphenyl)anilino)phenyl]butan-2-yl]phenol is sourced from PubChem (CID 20580176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).