(2,4-dimethylphenyl)-quinolin-8-ylmethanol

C18H17NO — CID 62875063

IUPAC(2,4-dimethylphenyl)-quinolin-8-ylmethanol
SMILESCc1ccc(C(O)c2cccc3cccnc23)c(C)c1
InChIInChI=1S/C18H17NO/c1-12-8-9-15(13(2)11-12)18(20)16-7-3-5-14-6-4-10-19-17(14)16/h3-11,18,20H,1-2H3
InChIKeyDFPMVLBELGNHQO-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.93
Rot. Bonds2

About (2,4-dimethylphenyl)-quinolin-8-ylmethanol

(2,4-dimethylphenyl)-quinolin-8-ylmethanol (PubChem CID 62875063) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-quinolin-8-ylmethanol.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-quinolin-8-ylmethanol
PubChem CID62875063
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name(2,4-dimethylphenyl)-quinolin-8-ylmethanol
SMILESCc1ccc(C(O)c2cccc3cccnc23)c(C)c1
InChIInChI=1S/C18H17NO/c1-12-8-9-15(13(2)11-12)18(20)16-7-3-5-14-6-4-10-19-17(14)16/h3-11,18,20H,1-2H3
InChIKeyDFPMVLBELGNHQO-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

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-quinolin-8-ylmethanol?
The IUPAC name of (2,4-dimethylphenyl)-quinolin-8-ylmethanol (CID 62875063) is (2,4-dimethylphenyl)-quinolin-8-ylmethanol.
What is the SMILES notation for (2,4-dimethylphenyl)-quinolin-8-ylmethanol?
The canonical SMILES for (2,4-dimethylphenyl)-quinolin-8-ylmethanol is Cc1ccc(C(O)c2cccc3cccnc23)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-quinolin-8-ylmethanol?
The InChIKey is DFPMVLBELGNHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-12-8-9-15(13(2)11-12)18(20)16-7-3-5-14-6-4-10-19-17(14)16/h3-11,18,20H,1-2H3.
What are the key properties of (2,4-dimethylphenyl)-quinolin-8-ylmethanol?
(2,4-dimethylphenyl)-quinolin-8-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 (2,4-dimethylphenyl)-quinolin-8-ylmethanol is sourced from PubChem (CID 62875063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).