4-[(1R)-1-hydroxy-2-[2-[4-(4-methoxy-3-phenylanilino)phenyl]ethylamino]ethyl]-2-(hydroxymethyl)phenol

C30H32N2O4 — CID 10128077

IUPAC4-[(1R)-1-hydroxy-2-[2-[4-(4-methoxy-3-phenylanilino)phenyl]ethylamino]ethyl]-2-(hydroxymethyl)phenol
SMILESCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(CO)c3)cc2)cc1-c1ccccc1
InChIInChI=1S/C30H32N2O4/c1-36-30-14-12-26(18-27(30)22-5-3-2-4-6-22)32-25-10-7-21(8-11-25)15-16-31-19-29(35)23-9-13-28(34)24(17-23)20-33/h2-14,17-18,29,31-35H,15-16,19-20H2,1H3/t29-/m0/s1
InChIKeyCJOMMFVMZGNTNI-LJAQVGFWSA-N
MW484.60 g/mol
LogP5.17
Rot. Bonds11

About 4-[(1R)-1-hydroxy-2-[2-[4-(4-methoxy-3-phenylanilino)phenyl]ethylamino]ethyl]-2-(hydroxymethyl)phenol

4-[(1R)-1-hydroxy-2-[2-[4-(4-methoxy-3-phenylanilino)phenyl]ethylamino]ethyl]-2-(hydroxymethyl)phenol (PubChem CID 10128077) has the molecular formula C30H32N2O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is 4-[(1R)-1-hydroxy-2-[2-[4-(4-methoxy-3-phenylanilino)phenyl]ethylamino]ethyl]-2-(hydroxymethyl)phenol.

Molecular Properties

Compound Name4-[(1R)-1-hydroxy-2-[2-[4-(4-methoxy-3-phenylanilino)phenyl]ethylamino]ethyl]-2-(hydroxymethyl)phenol
PubChem CID10128077
Molecular FormulaC30H32N2O4
Molecular Weight484.60 g/mol
Exact Mass484.24
IUPAC Name4-[(1R)-1-hydroxy-2-[2-[4-(4-methoxy-3-phenylanilino)phenyl]ethylamino]ethyl]-2-(hydroxymethyl)phenol
SMILESCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(CO)c3)cc2)cc1-c1ccccc1
InChIInChI=1S/C30H32N2O4/c1-36-30-14-12-26(18-27(30)22-5-3-2-4-6-22)32-25-10-7-21(8-11-25)15-16-31-19-29(35)23-9-13-28(34)24(17-23)20-33/h2-14,17-18,29,31-35H,15-16,19-20H2,1H3/t29-/m0/s1
InChIKeyCJOMMFVMZGNTNI-LJAQVGFWSA-N
XLogP5.17
TPSA93.98 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(1R)-1-hydroxy-2-[2-[4-(4-methoxy-3-phenylanilino)phenyl]ethylamino]ethyl]-2-(hydroxymethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

M37E3NE7QB
CID 9871386
4-[1-Hydroxy-2-[2-[4-[(2-hydroxy-2-phenylethyl)amino]phenyl]ethylamino]ethyl]-2-(hydroxymethyl)phenol
CID 9932018
4-[(1R)-1-hydroxy-2-[2-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]phenyl]ethylamino]ethyl]-2-(hydroxymethyl)phenol
CID 10180590
4-[(1R)-1-hydroxy-2-[2-[4-[[(2S)-2-hydroxy-2-phenylethyl]amino]phenyl]ethylamino]ethyl]-2-(hydroxymethyl)phenol
CID 10202462
N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[2-[4-(4-methoxy-3-phenylanilino)phenyl]ethylamino]ethyl]phenyl]formamide
CID 10217757
5-[(1R)-2-[2-[4-[3-[3-(aminomethyl)phenyl]-4-methoxyanilino]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 11592062
N-[5-[(1R)-2-[2-[4-[4-(2-amino-2-methylpropoxy)anilino]phenyl]ethylamino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide
CID 56943515
4-[1-Hydroxy-2-[[1-[4-[(2-hydroxy-2-phenylethyl)amino]phenyl]-2-methylpropan-2-yl]amino]ethyl]-2-(hydroxymethyl)phenol
CID 57403562
5-[(1R)-2-[2-[4-[3-[2-(aminomethyl)phenyl]-4-methoxyanilino]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 90645344
4-[1-Hydroxy-2-[2-[4-(4-methoxyanilino)phenyl]ethylamino]ethyl]-2-(hydroxymethyl)phenol
CID 10287658
4-[2-[2-[4-(4-Ethoxyanilino)phenyl]ethylamino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol
CID 10310047
2-(Hydroxymethyl)-4-[1-hydroxy-2-[2-[4-(3-phenylanilino)phenyl]ethylamino]ethyl]phenol
CID 10310564

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-hydroxy-2-[2-[4-(4-methoxy-3-phenylanilino)phenyl]ethylamino]ethyl]-2-(hydroxymethyl)phenol?
The IUPAC name of 4-[(1R)-1-hydroxy-2-[2-[4-(4-methoxy-3-phenylanilino)phenyl]ethylamino]ethyl]-2-(hydroxymethyl)phenol (CID 10128077) is 4-[(1R)-1-hydroxy-2-[2-[4-(4-methoxy-3-phenylanilino)phenyl]ethylamino]ethyl]-2-(hydroxymethyl)phenol.
What is the SMILES notation for 4-[(1R)-1-hydroxy-2-[2-[4-(4-methoxy-3-phenylanilino)phenyl]ethylamino]ethyl]-2-(hydroxymethyl)phenol?
The canonical SMILES for 4-[(1R)-1-hydroxy-2-[2-[4-(4-methoxy-3-phenylanilino)phenyl]ethylamino]ethyl]-2-(hydroxymethyl)phenol is COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(CO)c3)cc2)cc1-c1ccccc1.
What is the InChIKey of 4-[(1R)-1-hydroxy-2-[2-[4-(4-methoxy-3-phenylanilino)phenyl]ethylamino]ethyl]-2-(hydroxymethyl)phenol?
The InChIKey is CJOMMFVMZGNTNI-LJAQVGFWSA-N. The full InChI is InChI=1S/C30H32N2O4/c1-36-30-14-12-26(18-27(30)22-5-3-2-4-6-22)32-25-10-7-21(8-11-25)15-16-31-19-29(35)23-9-13-28(34)24(17-23)20-33/h2-14,17-18,29,31-35H,15-16,19-20H2,1H3/t29-/m0/s1.
What are the key properties of 4-[(1R)-1-hydroxy-2-[2-[4-(4-methoxy-3-phenylanilino)phenyl]ethylamino]ethyl]-2-(hydroxymethyl)phenol?
4-[(1R)-1-hydroxy-2-[2-[4-(4-methoxy-3-phenylanilino)phenyl]ethylamino]ethyl]-2-(hydroxymethyl)phenol has a molecular weight of 484.60 g/mol, XLogP of 5.17, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-hydroxy-2-[2-[4-(4-methoxy-3-phenylanilino)phenyl]ethylamino]ethyl]-2-(hydroxymethyl)phenol is sourced from PubChem (CID 10128077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).