4-[anilino-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenol

C31H41NO2 — CID 18958482

IUPAC4-[anilino-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenol
SMILESCC(C)c1cc(C(Nc2ccccc2)c2cc(C(C)C)c(O)c(C(C)C)c2)cc(C(C)C)c1O
InChIInChI=1S/C31H41NO2/c1-18(2)25-14-22(15-26(19(3)4)30(25)33)29(32-24-12-10-9-11-13-24)23-16-27(20(5)6)31(34)28(17-23)21(7)8/h9-21,29,32-34H,1-8H3
InChIKeyFJVLUIGPXSJWJR-UHFFFAOYSA-N
MW459.67 g/mol
LogP8.79
Rot. Bonds8

About 4-[anilino-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenol

4-[anilino-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenol (PubChem CID 18958482) has the molecular formula C31H41NO2 and a molecular weight of 459.67 g/mol. Its IUPAC name is 4-[anilino-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenol.

Molecular Properties

Compound Name4-[anilino-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenol
PubChem CID18958482
Molecular FormulaC31H41NO2
Molecular Weight459.67 g/mol
Exact Mass459.31
IUPAC Name4-[anilino-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenol
SMILESCC(C)c1cc(C(Nc2ccccc2)c2cc(C(C)C)c(O)c(C(C)C)c2)cc(C(C)C)c1O
InChIInChI=1S/C31H41NO2/c1-18(2)25-14-22(15-26(19(3)4)30(25)33)29(32-24-12-10-9-11-13-24)23-16-27(20(5)6)31(34)28(17-23)21(7)8/h9-21,29,32-34H,1-8H3
InChIKeyFJVLUIGPXSJWJR-UHFFFAOYSA-N
XLogP8.79
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.67
LogP ≤ 58.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[anilino-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[anilino-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenol?
The IUPAC name of 4-[anilino-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenol (CID 18958482) is 4-[anilino-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenol.
What is the SMILES notation for 4-[anilino-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenol?
The canonical SMILES for 4-[anilino-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenol is CC(C)c1cc(C(Nc2ccccc2)c2cc(C(C)C)c(O)c(C(C)C)c2)cc(C(C)C)c1O.
What is the InChIKey of 4-[anilino-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenol?
The InChIKey is FJVLUIGPXSJWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41NO2/c1-18(2)25-14-22(15-26(19(3)4)30(25)33)29(32-24-12-10-9-11-13-24)23-16-27(20(5)6)31(34)28(17-23)21(7)8/h9-21,29,32-34H,1-8H3.
What are the key properties of 4-[anilino-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenol?
4-[anilino-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenol has a molecular weight of 459.67 g/mol, XLogP of 8.79, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[anilino-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenol is sourced from PubChem (CID 18958482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).