(2,5-dimethylphenyl)-quinolin-2-ylmethanol

C18H17NO — CID 63222339

IUPAC(2,5-dimethylphenyl)-quinolin-2-ylmethanol
SMILESCc1ccc(C)c(C(O)c2ccc3ccccc3n2)c1
InChIInChI=1S/C18H17NO/c1-12-7-8-13(2)15(11-12)18(20)17-10-9-14-5-3-4-6-16(14)19-17/h3-11,18,20H,1-2H3
InChIKeyMJXRCMBAFAZSCK-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.93
Rot. Bonds2

About (2,5-dimethylphenyl)-quinolin-2-ylmethanol

(2,5-dimethylphenyl)-quinolin-2-ylmethanol (PubChem CID 63222339) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-quinolin-2-ylmethanol.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-quinolin-2-ylmethanol
PubChem CID63222339
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name(2,5-dimethylphenyl)-quinolin-2-ylmethanol
SMILESCc1ccc(C)c(C(O)c2ccc3ccccc3n2)c1
InChIInChI=1S/C18H17NO/c1-12-7-8-13(2)15(11-12)18(20)17-10-9-14-5-3-4-6-16(14)19-17/h3-11,18,20H,1-2H3
InChIKeyMJXRCMBAFAZSCK-UHFFFAOYSA-N
XLogP3.93
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2,5-dimethylphenyl)-quinolin-2-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-quinolin-2-ylmethanol?
The IUPAC name of (2,5-dimethylphenyl)-quinolin-2-ylmethanol (CID 63222339) is (2,5-dimethylphenyl)-quinolin-2-ylmethanol.
What is the SMILES notation for (2,5-dimethylphenyl)-quinolin-2-ylmethanol?
The canonical SMILES for (2,5-dimethylphenyl)-quinolin-2-ylmethanol is Cc1ccc(C)c(C(O)c2ccc3ccccc3n2)c1.
What is the InChIKey of (2,5-dimethylphenyl)-quinolin-2-ylmethanol?
The InChIKey is MJXRCMBAFAZSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-12-7-8-13(2)15(11-12)18(20)17-10-9-14-5-3-4-6-16(14)19-17/h3-11,18,20H,1-2H3.
What are the key properties of (2,5-dimethylphenyl)-quinolin-2-ylmethanol?
(2,5-dimethylphenyl)-quinolin-2-ylmethanol has a molecular weight of 263.34 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-quinolin-2-ylmethanol is sourced from PubChem (CID 63222339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).