aniline;benzene;phenol

C18H19NO — CID 159610058

IUPACaniline;benzene;phenol
SMILESNc1ccccc1.Oc1ccccc1.c1ccccc1
InChIInChI=1S/C6H7N.C6H6O.C6H6/c2*7-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-5H,7H2;1-5,7H;1-6H
InChIKeyMMOPOGRGTFYTFI-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.35
Rot. Bonds

About aniline;benzene;phenol

aniline;benzene;phenol (PubChem CID 159610058) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is aniline;benzene;phenol.

Molecular Properties

Compound Nameaniline;benzene;phenol
PubChem CID159610058
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Nameaniline;benzene;phenol
SMILESNc1ccccc1.Oc1ccccc1.c1ccccc1
InChIInChI=1S/C6H7N.C6H6O.C6H6/c2*7-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-5H,7H2;1-5,7H;1-6H
InChIKeyMMOPOGRGTFYTFI-UHFFFAOYSA-N
XLogP4.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

aniline;phenol
CID 174726991
aniline;benzene;benzene-1,4-diol
CID 175585204
aniline;1,1'-biphenyl;phenol;hydroiodide
CID 172679592
4-(4-aminophenyl)aniline;phenol
CID 159428015
hydrazine;phenol
CID 70470344
aniline;methanol
CID 140536335
phenol;thiohydroxylamine
CID 175057417
CID 159904044
CID 159904044
aluminum phenol
CID 19023057
aniline;niobium
CID 161015220
neodymium;phenol
CID 154361260
molybdenum;phenol
CID 154246724

Frequently Asked Questions

What is the IUPAC name of aniline;benzene;phenol?
The IUPAC name of aniline;benzene;phenol (CID 159610058) is aniline;benzene;phenol.
What is the SMILES notation for aniline;benzene;phenol?
The canonical SMILES for aniline;benzene;phenol is Nc1ccccc1.Oc1ccccc1.c1ccccc1.
What is the InChIKey of aniline;benzene;phenol?
The InChIKey is MMOPOGRGTFYTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C6H6O.C6H6/c2*7-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-5H,7H2;1-5,7H;1-6H.
What are the key properties of aniline;benzene;phenol?
aniline;benzene;phenol has a molecular weight of 265.36 g/mol, XLogP of 4.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;benzene;phenol is sourced from PubChem (CID 159610058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).