3-anilinophenol

C12H11NO — CID 7546

IUPAC3-anilinophenol
SMILESOc1cccc(Nc2ccccc2)c1
InChIInChI=1S/C12H11NO/c14-12-8-4-7-11(9-12)13-10-5-2-1-3-6-10/h1-9,13-14H
InChIKeyNDACNGSDAFKTGE-UHFFFAOYSA-N
MW185.23 g/mol
LogP3.14
Rot. Bonds2

About 3-anilinophenol

3-anilinophenol (PubChem CID 7546) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-anilinophenol.

Molecular Properties

Compound Name3-anilinophenol
PubChem CID7546
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name3-anilinophenol
SMILESOc1cccc(Nc2ccccc2)c1
InChIInChI=1S/C12H11NO/c14-12-8-4-7-11(9-12)13-10-5-2-1-3-6-10/h1-9,13-14H
InChIKeyNDACNGSDAFKTGE-UHFFFAOYSA-N
XLogP3.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-anilinophenol?
The IUPAC name of 3-anilinophenol (CID 7546) is 3-anilinophenol.
What is the SMILES notation for 3-anilinophenol?
The canonical SMILES for 3-anilinophenol is Oc1cccc(Nc2ccccc2)c1.
What is the InChIKey of 3-anilinophenol?
The InChIKey is NDACNGSDAFKTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c14-12-8-4-7-11(9-12)13-10-5-2-1-3-6-10/h1-9,13-14H.
What are the key properties of 3-anilinophenol?
3-anilinophenol has a molecular weight of 185.23 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilinophenol is sourced from PubChem (CID 7546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).