2-[2-[2-(2-hydroxypropan-2-yl)-N-(2-propan-2-yloxyphenyl)anilino]phenyl]propan-2-ol

C27H33NO3 — CID 159965657

IUPAC2-[2-[2-(2-hydroxypropan-2-yl)-N-(2-propan-2-yloxyphenyl)anilino]phenyl]propan-2-ol
SMILESCC(C)Oc1ccccc1N(c1ccccc1C(C)(C)O)c1ccccc1C(C)(C)O
InChIInChI=1S/C27H33NO3/c1-19(2)31-25-18-12-11-17-24(25)28(22-15-9-7-13-20(22)26(3,4)29)23-16-10-8-14-21(23)27(5,6)30/h7-19,29-30H,1-6H3
InChIKeyQATXMDMOCSVKCW-UHFFFAOYSA-N
MW419.57 g/mol
LogP6.40
Rot. Bonds7

About 2-[2-[2-(2-hydroxypropan-2-yl)-N-(2-propan-2-yloxyphenyl)anilino]phenyl]propan-2-ol

2-[2-[2-(2-hydroxypropan-2-yl)-N-(2-propan-2-yloxyphenyl)anilino]phenyl]propan-2-ol (PubChem CID 159965657) has the molecular formula C27H33NO3 and a molecular weight of 419.57 g/mol. Its IUPAC name is 2-[2-[2-(2-hydroxypropan-2-yl)-N-(2-propan-2-yloxyphenyl)anilino]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[2-(2-hydroxypropan-2-yl)-N-(2-propan-2-yloxyphenyl)anilino]phenyl]propan-2-ol
PubChem CID159965657
Molecular FormulaC27H33NO3
Molecular Weight419.57 g/mol
Exact Mass419.25
IUPAC Name2-[2-[2-(2-hydroxypropan-2-yl)-N-(2-propan-2-yloxyphenyl)anilino]phenyl]propan-2-ol
SMILESCC(C)Oc1ccccc1N(c1ccccc1C(C)(C)O)c1ccccc1C(C)(C)O
InChIInChI=1S/C27H33NO3/c1-19(2)31-25-18-12-11-17-24(25)28(22-15-9-7-13-20(22)26(3,4)29)23-16-10-8-14-21(23)27(5,6)30/h7-19,29-30H,1-6H3
InChIKeyQATXMDMOCSVKCW-UHFFFAOYSA-N
XLogP6.40
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.57
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[2-(2-hydroxypropan-2-yl)-N-(2-propan-2-yloxyphenyl)anilino]phenyl]propan-2-ol with MolForge

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Related Compounds

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CID 114865145
4,4,5,5,6,6,6-heptafluoro-2-(2-propan-2-yloxyphenyl)hexan-2-ol
CID 156764380
ethyl-(2-propan-2-yloxyphenyl)carbamic acid
CID 57185215
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CID 84666329
1-cyclobutyl-2-(2-propan-2-yloxyphenyl)propan-2-ol
CID 113490178
2-methyl-1-(2-propan-2-yloxyanilino)propan-2-ol
CID 39246107
tris(2-propan-2-yloxyphenyl)borane
CID 5017314
2-(3-methoxy-2-propan-2-ylphenyl)propan-2-ol
CID 117297916
1-(2-propan-2-yloxyphenyl)propane-1,2-diol
CID 103452569
(2R)-2-amino-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol
CID 70633857
N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide
CID 113145028

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-hydroxypropan-2-yl)-N-(2-propan-2-yloxyphenyl)anilino]phenyl]propan-2-ol?
The IUPAC name of 2-[2-[2-(2-hydroxypropan-2-yl)-N-(2-propan-2-yloxyphenyl)anilino]phenyl]propan-2-ol (CID 159965657) is 2-[2-[2-(2-hydroxypropan-2-yl)-N-(2-propan-2-yloxyphenyl)anilino]phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-[2-(2-hydroxypropan-2-yl)-N-(2-propan-2-yloxyphenyl)anilino]phenyl]propan-2-ol?
The canonical SMILES for 2-[2-[2-(2-hydroxypropan-2-yl)-N-(2-propan-2-yloxyphenyl)anilino]phenyl]propan-2-ol is CC(C)Oc1ccccc1N(c1ccccc1C(C)(C)O)c1ccccc1C(C)(C)O.
What is the InChIKey of 2-[2-[2-(2-hydroxypropan-2-yl)-N-(2-propan-2-yloxyphenyl)anilino]phenyl]propan-2-ol?
The InChIKey is QATXMDMOCSVKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO3/c1-19(2)31-25-18-12-11-17-24(25)28(22-15-9-7-13-20(22)26(3,4)29)23-16-10-8-14-21(23)27(5,6)30/h7-19,29-30H,1-6H3.
What are the key properties of 2-[2-[2-(2-hydroxypropan-2-yl)-N-(2-propan-2-yloxyphenyl)anilino]phenyl]propan-2-ol?
2-[2-[2-(2-hydroxypropan-2-yl)-N-(2-propan-2-yloxyphenyl)anilino]phenyl]propan-2-ol has a molecular weight of 419.57 g/mol, XLogP of 6.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-hydroxypropan-2-yl)-N-(2-propan-2-yloxyphenyl)anilino]phenyl]propan-2-ol is sourced from PubChem (CID 159965657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).