[4-[2-(4-aminophenyl)-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol

C22H21NO2 — CID 122463869

IUPAC[4-[2-(4-aminophenyl)-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol
SMILESNc1ccc(C=C(c2ccc(CO)cc2)c2ccc(CO)cc2)cc1
InChIInChI=1S/C22H21NO2/c23-21-11-5-16(6-12-21)13-22(19-7-1-17(14-24)2-8-19)20-9-3-18(15-25)4-10-20/h1-13,24-25H,14-15,23H2
InChIKeyAJBMKEPDWIAQNZ-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.84
Rot. Bonds5

About [4-[2-(4-aminophenyl)-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol

[4-[2-(4-aminophenyl)-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol (PubChem CID 122463869) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is [4-[2-(4-aminophenyl)-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-(4-aminophenyl)-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol
PubChem CID122463869
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name[4-[2-(4-aminophenyl)-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol
SMILESNc1ccc(C=C(c2ccc(CO)cc2)c2ccc(CO)cc2)cc1
InChIInChI=1S/C22H21NO2/c23-21-11-5-16(6-12-21)13-22(19-7-1-17(14-24)2-8-19)20-9-3-18(15-25)4-10-20/h1-13,24-25H,14-15,23H2
InChIKeyAJBMKEPDWIAQNZ-UHFFFAOYSA-N
XLogP3.84
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[(Z)-2-[4-[4-(hydroxymethyl)-N-[4-(hydroxymethyl)phenyl]anilino]phenyl]-1-phenylethenyl]phenyl]methanol
CID 146521934
[4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol
CID 58991857
[4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]-N-(4-methoxyphenyl)anilino]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol
CID 58325614
[4-[4-(hydroxymethyl)-N-[4-[(Z)-1-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-2-[4-[(E)-2-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino]phenyl]methanol
CID 159978372
4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]aniline
CID 122467021
[4-[2-phenyl-1-[4-(sulfanylmethyl)phenyl]ethenyl]phenyl]methanethiol
CID 59800959
[4-[4-(2-methylprop-1-enyl)phenyl]phenyl]methanol
CID 19705950
4-(2,2-difluoroethenyl)aniline
CID 45091677
4-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol
CID 157111710
N-[(Z)-[(E)-4-[4-[2-(4-aminophenyl)ethyl]phenyl]-3-methylbut-3-en-2-ylidene]amino]-N-[4-(1-hydroxyethenyl)phenyl]formamide
CID 143348872
[4-[2-[4-(4-ethylphenyl)phenyl]-1-[4-(prop-2-enoyloxymethyl)phenyl]ethenyl]phenyl]methyl prop-2-enoate
CID 58520026
(E)-2-cyano-3-[4-(hydroxymethyl)phenyl]prop-2-enamide
CID 57390634

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-aminophenyl)-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol?
The IUPAC name of [4-[2-(4-aminophenyl)-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol (CID 122463869) is [4-[2-(4-aminophenyl)-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol.
What is the SMILES notation for [4-[2-(4-aminophenyl)-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol?
The canonical SMILES for [4-[2-(4-aminophenyl)-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol is Nc1ccc(C=C(c2ccc(CO)cc2)c2ccc(CO)cc2)cc1.
What is the InChIKey of [4-[2-(4-aminophenyl)-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol?
The InChIKey is AJBMKEPDWIAQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c23-21-11-5-16(6-12-21)13-22(19-7-1-17(14-24)2-8-19)20-9-3-18(15-25)4-10-20/h1-13,24-25H,14-15,23H2.
What are the key properties of [4-[2-(4-aminophenyl)-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol?
[4-[2-(4-aminophenyl)-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol has a molecular weight of 331.42 g/mol, XLogP of 3.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-aminophenyl)-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol is sourced from PubChem (CID 122463869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).