4-[4-(3-amino-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenol

C27H25NO4 — CID 23538933

IUPAC4-[4-(3-amino-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenol
SMILESCOc1cc(-c2ccc(OCc3ccccc3)c(N)c2)c(OC)cc1-c1ccc(O)cc1
InChIInChI=1S/C27H25NO4/c1-30-26-16-23(27(31-2)15-22(26)19-8-11-21(29)12-9-19)20-10-13-25(24(28)14-20)32-17-18-6-4-3-5-7-18/h3-16,29H,17,28H2,1-2H3
InChIKeyHOBBDWLDCKRXGT-UHFFFAOYSA-N
MW427.50 g/mol
LogP5.90
Rot. Bonds7

About 4-[4-(3-amino-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenol

4-[4-(3-amino-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenol (PubChem CID 23538933) has the molecular formula C27H25NO4 and a molecular weight of 427.50 g/mol. Its IUPAC name is 4-[4-(3-amino-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenol.

Molecular Properties

Compound Name4-[4-(3-amino-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenol
PubChem CID23538933
Molecular FormulaC27H25NO4
Molecular Weight427.50 g/mol
Exact Mass427.18
IUPAC Name4-[4-(3-amino-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenol
SMILESCOc1cc(-c2ccc(OCc3ccccc3)c(N)c2)c(OC)cc1-c1ccc(O)cc1
InChIInChI=1S/C27H25NO4/c1-30-26-16-23(27(31-2)15-22(26)19-8-11-21(29)12-9-19)20-10-13-25(24(28)14-20)32-17-18-6-4-3-5-7-18/h3-16,29H,17,28H2,1-2H3
InChIKeyHOBBDWLDCKRXGT-UHFFFAOYSA-N
XLogP5.90
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dimethoxyphenyl)-4-phenylmethoxyaniline
CID 169408827
methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174530188
4-[2,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-4-(4-hydroxyphenyl)phenyl]phenol
CID 102320796
ethanamine;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174428998
4-methoxy-2-(3-methoxyphenyl)-5-phenylmethoxyaniline
CID 66880803
3-methoxy-4-phenylmethoxyaniline
CID 27226
5-(dimethoxymethyl)-2-phenylmethoxyaniline
CID 154099564
2-methoxy-4-(3-methyl-4-phenylmethoxyphenyl)phenol
CID 145389555
(3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride
CID 171213030
2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol
CID 23538563
2-(3-chloro-4-phenylmethoxyphenyl)aniline
CID 145161607
(3-phenyl-4-phenylmethoxyphenyl)methanol
CID 164896135

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-amino-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenol?
The IUPAC name of 4-[4-(3-amino-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenol (CID 23538933) is 4-[4-(3-amino-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenol.
What is the SMILES notation for 4-[4-(3-amino-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenol?
The canonical SMILES for 4-[4-(3-amino-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenol is COc1cc(-c2ccc(OCc3ccccc3)c(N)c2)c(OC)cc1-c1ccc(O)cc1.
What is the InChIKey of 4-[4-(3-amino-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenol?
The InChIKey is HOBBDWLDCKRXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO4/c1-30-26-16-23(27(31-2)15-22(26)19-8-11-21(29)12-9-19)20-10-13-25(24(28)14-20)32-17-18-6-4-3-5-7-18/h3-16,29H,17,28H2,1-2H3.
What are the key properties of 4-[4-(3-amino-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenol?
4-[4-(3-amino-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenol has a molecular weight of 427.50 g/mol, XLogP of 5.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-amino-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenol is sourced from PubChem (CID 23538933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).