4-[1-(4-hydroxyphenyl)-2-[3-(naphthalen-1-ylamino)phenyl]but-1-enyl]phenol

C32H27NO2 — CID 137348334

IUPAC4-[1-(4-hydroxyphenyl)-2-[3-(naphthalen-1-ylamino)phenyl]but-1-enyl]phenol
SMILESCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1cccc(Nc2cccc3ccccc23)c1
InChIInChI=1S/C32H27NO2/c1-2-29(32(23-13-17-27(34)18-14-23)24-15-19-28(35)20-16-24)25-9-5-10-26(21-25)33-31-12-6-8-22-7-3-4-11-30(22)31/h3-21,33-35H,2H2,1H3
InChIKeyDUNBTGNJKIWECA-UHFFFAOYSA-N
MW457.57 g/mol
LogP8.36
Rot. Bonds6

About 4-[1-(4-hydroxyphenyl)-2-[3-(naphthalen-1-ylamino)phenyl]but-1-enyl]phenol

4-[1-(4-hydroxyphenyl)-2-[3-(naphthalen-1-ylamino)phenyl]but-1-enyl]phenol (PubChem CID 137348334) has the molecular formula C32H27NO2 and a molecular weight of 457.57 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-2-[3-(naphthalen-1-ylamino)phenyl]but-1-enyl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-2-[3-(naphthalen-1-ylamino)phenyl]but-1-enyl]phenol
PubChem CID137348334
Molecular FormulaC32H27NO2
Molecular Weight457.57 g/mol
Exact Mass457.20
IUPAC Name4-[1-(4-hydroxyphenyl)-2-[3-(naphthalen-1-ylamino)phenyl]but-1-enyl]phenol
SMILESCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1cccc(Nc2cccc3ccccc23)c1
InChIInChI=1S/C32H27NO2/c1-2-29(32(23-13-17-27(34)18-14-23)24-15-19-28(35)20-16-24)25-9-5-10-26(21-25)33-31-12-6-8-22-7-3-4-11-30(22)31/h3-21,33-35H,2H2,1H3
InChIKeyDUNBTGNJKIWECA-UHFFFAOYSA-N
XLogP8.36
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 58.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-2-[3-(naphthalen-1-ylamino)phenyl]but-1-enyl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-2-[3-(naphthalen-1-ylamino)phenyl]but-1-enyl]phenol (CID 137348334) is 4-[1-(4-hydroxyphenyl)-2-[3-(naphthalen-1-ylamino)phenyl]but-1-enyl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-2-[3-(naphthalen-1-ylamino)phenyl]but-1-enyl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-2-[3-(naphthalen-1-ylamino)phenyl]but-1-enyl]phenol is CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1cccc(Nc2cccc3ccccc23)c1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-2-[3-(naphthalen-1-ylamino)phenyl]but-1-enyl]phenol?
The InChIKey is DUNBTGNJKIWECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27NO2/c1-2-29(32(23-13-17-27(34)18-14-23)24-15-19-28(35)20-16-24)25-9-5-10-26(21-25)33-31-12-6-8-22-7-3-4-11-30(22)31/h3-21,33-35H,2H2,1H3.
What are the key properties of 4-[1-(4-hydroxyphenyl)-2-[3-(naphthalen-1-ylamino)phenyl]but-1-enyl]phenol?
4-[1-(4-hydroxyphenyl)-2-[3-(naphthalen-1-ylamino)phenyl]but-1-enyl]phenol has a molecular weight of 457.57 g/mol, XLogP of 8.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-2-[3-(naphthalen-1-ylamino)phenyl]but-1-enyl]phenol is sourced from PubChem (CID 137348334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).