(2,3-difluoro-4-methylphenyl)-quinolin-6-ylmethanol

C17H13F2NO — CID 107512228

IUPAC(2,3-difluoro-4-methylphenyl)-quinolin-6-ylmethanol
SMILESCc1ccc(C(O)c2ccc3ncccc3c2)c(F)c1F
InChIInChI=1S/C17H13F2NO/c1-10-4-6-13(16(19)15(10)18)17(21)12-5-7-14-11(9-12)3-2-8-20-14/h2-9,17,21H,1H3
InChIKeyHKJFCWMQQVBZQM-UHFFFAOYSA-N
MW285.29 g/mol
LogP3.90
Rot. Bonds2

About (2,3-difluoro-4-methylphenyl)-quinolin-6-ylmethanol

(2,3-difluoro-4-methylphenyl)-quinolin-6-ylmethanol (PubChem CID 107512228) has the molecular formula C17H13F2NO and a molecular weight of 285.29 g/mol. Its IUPAC name is (2,3-difluoro-4-methylphenyl)-quinolin-6-ylmethanol.

Molecular Properties

Compound Name(2,3-difluoro-4-methylphenyl)-quinolin-6-ylmethanol
PubChem CID107512228
Molecular FormulaC17H13F2NO
Molecular Weight285.29 g/mol
Exact Mass285.10
IUPAC Name(2,3-difluoro-4-methylphenyl)-quinolin-6-ylmethanol
SMILESCc1ccc(C(O)c2ccc3ncccc3c2)c(F)c1F
InChIInChI=1S/C17H13F2NO/c1-10-4-6-13(16(19)15(10)18)17(21)12-5-7-14-11(9-12)3-2-8-20-14/h2-9,17,21H,1H3
InChIKeyHKJFCWMQQVBZQM-UHFFFAOYSA-N
XLogP3.90
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-2-methylphenyl)-quinolin-6-ylmethanol
CID 63095091
(2-chloro-4-fluorophenyl)-quinolin-6-ylmethanol
CID 81220584
(2-chloro-3-fluorophenyl)-quinolin-6-ylmethanol
CID 115826770
(4-methylsulfanylphenyl)-quinolin-6-ylmethanol
CID 115826701
(4-methoxy-3-methylphenyl)-quinolin-6-ylmethanol
CID 78917721
(4,5-dimethylthiophen-2-yl)-quinolin-6-ylmethanol
CID 115826735
(3-bromo-4-fluorophenyl)-quinolin-6-ylmethanol
CID 81216485
pyridin-4-yl(quinolin-6-yl)methanol
CID 81215658
(3-bromo-2-fluorophenyl)-quinolin-7-ylmethanol
CID 107954092
(5-fluoro-2-pyridinyl)-quinolin-6-ylmethanol
CID 81221058
(4-ethylphenyl)-quinolin-6-ylmethanol
CID 62876415
1-(4-fluoro-2-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 63096681

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methylphenyl)-quinolin-6-ylmethanol?
The IUPAC name of (2,3-difluoro-4-methylphenyl)-quinolin-6-ylmethanol (CID 107512228) is (2,3-difluoro-4-methylphenyl)-quinolin-6-ylmethanol.
What is the SMILES notation for (2,3-difluoro-4-methylphenyl)-quinolin-6-ylmethanol?
The canonical SMILES for (2,3-difluoro-4-methylphenyl)-quinolin-6-ylmethanol is Cc1ccc(C(O)c2ccc3ncccc3c2)c(F)c1F.
What is the InChIKey of (2,3-difluoro-4-methylphenyl)-quinolin-6-ylmethanol?
The InChIKey is HKJFCWMQQVBZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO/c1-10-4-6-13(16(19)15(10)18)17(21)12-5-7-14-11(9-12)3-2-8-20-14/h2-9,17,21H,1H3.
What are the key properties of (2,3-difluoro-4-methylphenyl)-quinolin-6-ylmethanol?
(2,3-difluoro-4-methylphenyl)-quinolin-6-ylmethanol has a molecular weight of 285.29 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methylphenyl)-quinolin-6-ylmethanol is sourced from PubChem (CID 107512228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).