3-(2,3-dihydro-1H-perimidin-2-yl)phenol

C17H14N2O — CID 727015

IUPAC3-(2,3-dihydro-1H-perimidin-2-yl)phenol
SMILESOc1cccc(C2Nc3cccc4cccc(c34)N2)c1
InChIInChI=1S/C17H14N2O/c20-13-7-1-6-12(10-13)17-18-14-8-2-4-11-5-3-9-15(19-17)16(11)14/h1-10,17-20H
InChIKeyOJBMOIPBPUQIQZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP4.08
Rot. Bonds1

About 3-(2,3-dihydro-1H-perimidin-2-yl)phenol

3-(2,3-dihydro-1H-perimidin-2-yl)phenol (PubChem CID 727015) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-perimidin-2-yl)phenol.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-perimidin-2-yl)phenol
PubChem CID727015
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name3-(2,3-dihydro-1H-perimidin-2-yl)phenol
SMILESOc1cccc(C2Nc3cccc4cccc(c34)N2)c1
InChIInChI=1S/C17H14N2O/c20-13-7-1-6-12(10-13)17-18-14-8-2-4-11-5-3-9-15(19-17)16(11)14/h1-10,17-20H
InChIKeyOJBMOIPBPUQIQZ-UHFFFAOYSA-N
XLogP4.08
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_B(25)', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenyl)-2,3-dihydro-1H-perimidine
CID 727037
4-(2,3-Dihydro-1H-perimidin-2-yl)-phenol
CID 256659
2-(2,3-dihydro-1H-perimidin-2-yl)-6-methoxyphenol
CID 854279
4-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenol
CID 760603
1-(2,3-dihydro-1H-perimidin-2-yl)naphthalen-2-ol
CID 668468
2-(4-Methoxyphenyl)-2,3-dihydro-1h-perimidine
CID 256655
N-(5-Hydroxy-1-naphthalenyl)-N'-phenylurea
CID 4432275
4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,3-diol
CID 727028
Diarylurea deriv. 1a
CID 5330587
4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,2-diol
CID 761631
4-(Benzylamino)-1-naphthol
CID 17937479
5-(diethylamino)-2-(2,3-dihydro-1H-perimidin-2-yl)phenol
CID 660794

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-perimidin-2-yl)phenol?
The IUPAC name of 3-(2,3-dihydro-1H-perimidin-2-yl)phenol (CID 727015) is 3-(2,3-dihydro-1H-perimidin-2-yl)phenol.
What is the SMILES notation for 3-(2,3-dihydro-1H-perimidin-2-yl)phenol?
The canonical SMILES for 3-(2,3-dihydro-1H-perimidin-2-yl)phenol is Oc1cccc(C2Nc3cccc4cccc(c34)N2)c1.
What is the InChIKey of 3-(2,3-dihydro-1H-perimidin-2-yl)phenol?
The InChIKey is OJBMOIPBPUQIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c20-13-7-1-6-12(10-13)17-18-14-8-2-4-11-5-3-9-15(19-17)16(11)14/h1-10,17-20H.
What are the key properties of 3-(2,3-dihydro-1H-perimidin-2-yl)phenol?
3-(2,3-dihydro-1H-perimidin-2-yl)phenol has a molecular weight of 262.31 g/mol, XLogP of 4.08, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-perimidin-2-yl)phenol is sourced from PubChem (CID 727015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).