1,3-bis(4-anilinophenoxy)propan-2-ol

C27H26N2O3 — CID 28515

IUPAC1,3-bis(4-anilinophenoxy)propan-2-ol
SMILESOC(COc1ccc(Nc2ccccc2)cc1)COc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C27H26N2O3/c30-25(19-31-26-15-11-23(12-16-26)28-21-7-3-1-4-8-21)20-32-27-17-13-24(14-18-27)29-22-9-5-2-6-10-22/h1-18,25,28-30H,19-20H2
InChIKeyZZMOXLMMPVFJHG-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.99
Rot. Bonds10

About 1,3-bis(4-anilinophenoxy)propan-2-ol

1,3-bis(4-anilinophenoxy)propan-2-ol (PubChem CID 28515) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is 1,3-bis(4-anilinophenoxy)propan-2-ol.

Molecular Properties

Compound Name1,3-bis(4-anilinophenoxy)propan-2-ol
PubChem CID28515
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC Name1,3-bis(4-anilinophenoxy)propan-2-ol
SMILESOC(COc1ccc(Nc2ccccc2)cc1)COc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C27H26N2O3/c30-25(19-31-26-15-11-23(12-16-26)28-21-7-3-1-4-8-21)20-32-27-17-13-24(14-18-27)29-22-9-5-2-6-10-22/h1-18,25,28-30H,19-20H2
InChIKeyZZMOXLMMPVFJHG-UHFFFAOYSA-N
XLogP5.99
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-Isopropoxydiphenylamine
CID 7574
Diamfenetide
CID 37384
2-[4-(Phenylamino)phenoxy]acetic acid
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CID 1809594
1,2-Propanediol, 3-(p-acetamidophenoxy)-
CID 92643
1-Piperazineethanol, alpha-((4-aminophenoxy)methyl)-4-phenyl-
CID 99096
4',4'''-(Trimethylenedioxy)diacetanilide
CID 3987994
4-Octyloxydiphenylamine
CID 4127793
GlyTouCan:G34671BB
CID 2852501
3-fluoro-N-(4-phenoxyphenyl)aniline
CID 145977919
Benzenamine, 4-ethoxy-N-phenyl-
CID 70555
2-Propanol, 1,3-bis(p-aminophenoxy)-
CID 212849

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-anilinophenoxy)propan-2-ol?
The IUPAC name of 1,3-bis(4-anilinophenoxy)propan-2-ol (CID 28515) is 1,3-bis(4-anilinophenoxy)propan-2-ol.
What is the SMILES notation for 1,3-bis(4-anilinophenoxy)propan-2-ol?
The canonical SMILES for 1,3-bis(4-anilinophenoxy)propan-2-ol is OC(COc1ccc(Nc2ccccc2)cc1)COc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 1,3-bis(4-anilinophenoxy)propan-2-ol?
The InChIKey is ZZMOXLMMPVFJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c30-25(19-31-26-15-11-23(12-16-26)28-21-7-3-1-4-8-21)20-32-27-17-13-24(14-18-27)29-22-9-5-2-6-10-22/h1-18,25,28-30H,19-20H2.
What are the key properties of 1,3-bis(4-anilinophenoxy)propan-2-ol?
1,3-bis(4-anilinophenoxy)propan-2-ol has a molecular weight of 426.52 g/mol, XLogP of 5.99, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-anilinophenoxy)propan-2-ol is sourced from PubChem (CID 28515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).