(3,4-difluorophenyl)-(4-methylquinolin-2-yl)methanol

C17H13F2NO — CID 114754840

IUPAC(3,4-difluorophenyl)-(4-methylquinolin-2-yl)methanol
SMILESCc1cc(C(O)c2ccc(F)c(F)c2)nc2ccccc12
InChIInChI=1S/C17H13F2NO/c1-10-8-16(20-15-5-3-2-4-12(10)15)17(21)11-6-7-13(18)14(19)9-11/h2-9,17,21H,1H3
InChIKeyYYVKAEIRQCNIQF-UHFFFAOYSA-N
MW285.29 g/mol
LogP3.90
Rot. Bonds2

About (3,4-difluorophenyl)-(4-methylquinolin-2-yl)methanol

(3,4-difluorophenyl)-(4-methylquinolin-2-yl)methanol (PubChem CID 114754840) has the molecular formula C17H13F2NO and a molecular weight of 285.29 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(4-methylquinolin-2-yl)methanol.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(4-methylquinolin-2-yl)methanol
PubChem CID114754840
Molecular FormulaC17H13F2NO
Molecular Weight285.29 g/mol
Exact Mass285.10
IUPAC Name(3,4-difluorophenyl)-(4-methylquinolin-2-yl)methanol
SMILESCc1cc(C(O)c2ccc(F)c(F)c2)nc2ccccc12
InChIInChI=1S/C17H13F2NO/c1-10-8-16(20-15-5-3-2-4-12(10)15)17(21)11-6-7-13(18)14(19)9-11/h2-9,17,21H,1H3
InChIKeyYYVKAEIRQCNIQF-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

(4-methoxyphenyl)-(4-methylquinolin-2-yl)methanol
CID 114754870
(4-fluoro-3-methylphenyl)-(2-methylquinolin-4-yl)methanol
CID 79233806
(4-chlorophenyl)-(4-methylquinolin-2-yl)methanamine
CID 114754979
2-(2-fluorophenyl)-1-(4-methylquinolin-2-yl)ethanol
CID 114754909
(1R)-1-(4-methylquinolin-2-yl)butan-1-ol
CID 104969389
1-(4-methylquinolin-2-yl)-2-propan-2-yloxyethanol
CID 114754836
(2-ethylpyrazol-3-yl)-(4-methylquinolin-2-yl)methanol
CID 114754847
(3,4-difluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-2-yl]methanol
CID 159505820
(3,4-difluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81477927
2-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylquinoline
CID 134960971
(3,4-difluorophenyl)-(3-methylphenyl)methanol
CID 2758296
(3,4-difluorophenyl)-(2,3-dimethylphenyl)methanol
CID 61088298

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(4-methylquinolin-2-yl)methanol?
The IUPAC name of (3,4-difluorophenyl)-(4-methylquinolin-2-yl)methanol (CID 114754840) is (3,4-difluorophenyl)-(4-methylquinolin-2-yl)methanol.
What is the SMILES notation for (3,4-difluorophenyl)-(4-methylquinolin-2-yl)methanol?
The canonical SMILES for (3,4-difluorophenyl)-(4-methylquinolin-2-yl)methanol is Cc1cc(C(O)c2ccc(F)c(F)c2)nc2ccccc12.
What is the InChIKey of (3,4-difluorophenyl)-(4-methylquinolin-2-yl)methanol?
The InChIKey is YYVKAEIRQCNIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO/c1-10-8-16(20-15-5-3-2-4-12(10)15)17(21)11-6-7-13(18)14(19)9-11/h2-9,17,21H,1H3.
What are the key properties of (3,4-difluorophenyl)-(4-methylquinolin-2-yl)methanol?
(3,4-difluorophenyl)-(4-methylquinolin-2-yl)methanol 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 (3,4-difluorophenyl)-(4-methylquinolin-2-yl)methanol is sourced from PubChem (CID 114754840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).