4-[1-(4-hydroxyphenyl)-1-phenylpropyl]phenol;4-methoxy-N-(4-methoxyphenyl)aniline

C35H35NO4 — CID 18698969

IUPAC4-[1-(4-hydroxyphenyl)-1-phenylpropyl]phenol;4-methoxy-N-(4-methoxyphenyl)aniline
SMILESCCC(c1ccccc1)(c1ccc(O)cc1)c1ccc(O)cc1.COc1ccc(Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H20O2.C14H15NO2/c1-2-21(16-6-4-3-5-7-16,17-8-12-19(22)13-9-17)18-10-14-20(23)15-11-18;1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12/h3-15,22-23H,2H2,1H3;3-10,15H,1-2H3
InChIKeyQWOQMDOIFXXULB-UHFFFAOYSA-N
MW533.67 g/mol
LogP8.29
Rot. Bonds8

About 4-[1-(4-hydroxyphenyl)-1-phenylpropyl]phenol;4-methoxy-N-(4-methoxyphenyl)aniline

4-[1-(4-hydroxyphenyl)-1-phenylpropyl]phenol;4-methoxy-N-(4-methoxyphenyl)aniline (PubChem CID 18698969) has the molecular formula C35H35NO4 and a molecular weight of 533.67 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-1-phenylpropyl]phenol;4-methoxy-N-(4-methoxyphenyl)aniline.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-1-phenylpropyl]phenol;4-methoxy-N-(4-methoxyphenyl)aniline
PubChem CID18698969
Molecular FormulaC35H35NO4
Molecular Weight533.67 g/mol
Exact Mass533.26
IUPAC Name4-[1-(4-hydroxyphenyl)-1-phenylpropyl]phenol;4-methoxy-N-(4-methoxyphenyl)aniline
SMILESCCC(c1ccccc1)(c1ccc(O)cc1)c1ccc(O)cc1.COc1ccc(Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H20O2.C14H15NO2/c1-2-21(16-6-4-3-5-7-16,17-8-12-19(22)13-9-17)18-10-14-20(23)15-11-18;1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12/h3-15,22-23H,2H2,1H3;3-10,15H,1-2H3
InChIKeyQWOQMDOIFXXULB-UHFFFAOYSA-N
XLogP8.29
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.67
LogP ≤ 58.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propyl]phenol
CID 22051947
4-[2-(4-methoxyphenyl)butan-2-yl]phenol
CID 57308830
2-(4-methoxyanilino)-1,1-diphenylethanol
CID 101160453
2-(4-methoxyanilino)-2-phenylbutan-1-ol
CID 61045130
1,1,5,5-tetrakis(4-methoxyphenyl)-1,5-diphenylpentan-3-ol
CID 70004134
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
4-benzyl-N-(4-methoxyphenyl)aniline
CID 175329182
benzene-1,2-diol;4-methoxyphenol
CID 70292826
3-(4-methoxyanilino)phenol
CID 15574559
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol
CID 19875161
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
1-methoxy-4-phenylbenzene;4-(4-methoxyphenyl)phenol
CID 69347648

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-1-phenylpropyl]phenol;4-methoxy-N-(4-methoxyphenyl)aniline?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-1-phenylpropyl]phenol;4-methoxy-N-(4-methoxyphenyl)aniline (CID 18698969) is 4-[1-(4-hydroxyphenyl)-1-phenylpropyl]phenol;4-methoxy-N-(4-methoxyphenyl)aniline.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-1-phenylpropyl]phenol;4-methoxy-N-(4-methoxyphenyl)aniline?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-1-phenylpropyl]phenol;4-methoxy-N-(4-methoxyphenyl)aniline is CCC(c1ccccc1)(c1ccc(O)cc1)c1ccc(O)cc1.COc1ccc(Nc2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-1-phenylpropyl]phenol;4-methoxy-N-(4-methoxyphenyl)aniline?
The InChIKey is QWOQMDOIFXXULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2.C14H15NO2/c1-2-21(16-6-4-3-5-7-16,17-8-12-19(22)13-9-17)18-10-14-20(23)15-11-18;1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12/h3-15,22-23H,2H2,1H3;3-10,15H,1-2H3.
What are the key properties of 4-[1-(4-hydroxyphenyl)-1-phenylpropyl]phenol;4-methoxy-N-(4-methoxyphenyl)aniline?
4-[1-(4-hydroxyphenyl)-1-phenylpropyl]phenol;4-methoxy-N-(4-methoxyphenyl)aniline has a molecular weight of 533.67 g/mol, XLogP of 8.29, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-1-phenylpropyl]phenol;4-methoxy-N-(4-methoxyphenyl)aniline is sourced from PubChem (CID 18698969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).