2-methylbenzamide;phenol

C14H15NO2 — CID 160508327

IUPAC2-methylbenzamide;phenol
SMILESCc1ccccc1C(N)=O.Oc1ccccc1
InChIInChI=1S/C8H9NO.C6H6O/c1-6-4-2-3-5-7(6)8(9)10;7-6-4-2-1-3-5-6/h2-5H,1H3,(H2,9,10);1-5,7H
InChIKeyQSSCWKFAKIERID-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.49
Rot. Bonds1

About 2-methylbenzamide;phenol

2-methylbenzamide;phenol (PubChem CID 160508327) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-methylbenzamide;phenol.

Molecular Properties

Compound Name2-methylbenzamide;phenol
PubChem CID160508327
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-methylbenzamide;phenol
SMILESCc1ccccc1C(N)=O.Oc1ccccc1
InChIInChI=1S/C8H9NO.C6H6O/c1-6-4-2-3-5-7(6)8(9)10;7-6-4-2-1-3-5-6/h2-5H,1H3,(H2,9,10);1-5,7H
InChIKeyQSSCWKFAKIERID-UHFFFAOYSA-N
XLogP2.49
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylbenzamide;molecular hydrogen
CID 177161283
benzene;2-hydroxybenzamide
CID 157085280
oxamide;phenol
CID 21277500
2-methylbenzamide;oxiran-2-ylmethanol
CID 174432079
iron;2-methylbenzoic acid
CID 174483135
bis(2-methylbenzoic acid);hydrate
CID 69398343
2,3-dimethylbenzamide;ethane
CID 143389789
formaldehyde;phenol;toluene;urea
CID 174921018
benzene-1,2-dicarboxamide;benzene-1,4-dicarboxamide;4-hydroxybenzamide
CID 157113286
2-[(2-methylphenyl)methoxy]benzamide
CID 7642222
2-(2-carbamoyl-6-methylphenyl)benzoic acid
CID 170993072
benzene-1,2-dicarboxamide;hydrazine
CID 158131121

Frequently Asked Questions

What is the IUPAC name of 2-methylbenzamide;phenol?
The IUPAC name of 2-methylbenzamide;phenol (CID 160508327) is 2-methylbenzamide;phenol.
What is the SMILES notation for 2-methylbenzamide;phenol?
The canonical SMILES for 2-methylbenzamide;phenol is Cc1ccccc1C(N)=O.Oc1ccccc1.
What is the InChIKey of 2-methylbenzamide;phenol?
The InChIKey is QSSCWKFAKIERID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.C6H6O/c1-6-4-2-3-5-7(6)8(9)10;7-6-4-2-1-3-5-6/h2-5H,1H3,(H2,9,10);1-5,7H.
What are the key properties of 2-methylbenzamide;phenol?
2-methylbenzamide;phenol has a molecular weight of 229.28 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbenzamide;phenol is sourced from PubChem (CID 160508327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).