(1S)-1-[2-phenyl-4-(trifluoromethyl)quinolin-3-yl]ethanol

C18H14F3NO — CID 91447505

IUPAC(1S)-1-[2-phenyl-4-(trifluoromethyl)quinolin-3-yl]ethanol
SMILESC[C@H](O)c1c(-c2ccccc2)nc2ccccc2c1C(F)(F)F
InChIInChI=1S/C18H14F3NO/c1-11(23)15-16(18(19,20)21)13-9-5-6-10-14(13)22-17(15)12-7-3-2-4-8-12/h2-11,23H,1H3/t11-/m0/s1
InChIKeyNBLSBVOSOKTILN-NSHDSACASA-N
MW317.31 g/mol
LogP4.97
Rot. Bonds2

About (1S)-1-[2-phenyl-4-(trifluoromethyl)quinolin-3-yl]ethanol

(1S)-1-[2-phenyl-4-(trifluoromethyl)quinolin-3-yl]ethanol (PubChem CID 91447505) has the molecular formula C18H14F3NO and a molecular weight of 317.31 g/mol. Its IUPAC name is (1S)-1-[2-phenyl-4-(trifluoromethyl)quinolin-3-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-phenyl-4-(trifluoromethyl)quinolin-3-yl]ethanol
PubChem CID91447505
Molecular FormulaC18H14F3NO
Molecular Weight317.31 g/mol
Exact Mass317.10
IUPAC Name(1S)-1-[2-phenyl-4-(trifluoromethyl)quinolin-3-yl]ethanol
SMILESC[C@H](O)c1c(-c2ccccc2)nc2ccccc2c1C(F)(F)F
InChIInChI=1S/C18H14F3NO/c1-11(23)15-16(18(19,20)21)13-9-5-6-10-14(13)22-17(15)12-7-3-2-4-8-12/h2-11,23H,1H3/t11-/m0/s1
InChIKeyNBLSBVOSOKTILN-NSHDSACASA-N
XLogP4.97
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-3-phenyl-4-(trifluoromethyl)quinoline
CID 162418925
2,2-dimethyl-1-(4-phenylquinazolin-2-yl)propan-1-ol
CID 101084013
(1S)-1-(4-amino-2-methylquinolin-3-yl)ethanol
CID 920146
7-(trifluoromethyl)-5,6-dihydrobenzo[c]acridine
CID 162535864
2-phenylquinoline-3,4-dicarboxylic acid
CID 71341092
2-(3-methylbutan-2-yl)-4-phenylquinazoline
CID 142487747
1-[3-phenyl-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,2-oxazol-4-yl]ethanol
CID 11016646
(1S)-1-phenylethanol
CID 157125626
9-(1-acridin-9-ylethyl)acridine
CID 118649577
4-methyl-2-phenyl-3-propylquinoline
CID 39902639
1-(4-phenylfuro[3,2-c]quinolin-2-yl)propan-1-ol
CID 101407719
6-phenyl-10-propan-2-yl-[1]benzofuro[3,2-c]quinoline
CID 167354912

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-phenyl-4-(trifluoromethyl)quinolin-3-yl]ethanol?
The IUPAC name of (1S)-1-[2-phenyl-4-(trifluoromethyl)quinolin-3-yl]ethanol (CID 91447505) is (1S)-1-[2-phenyl-4-(trifluoromethyl)quinolin-3-yl]ethanol.
What is the SMILES notation for (1S)-1-[2-phenyl-4-(trifluoromethyl)quinolin-3-yl]ethanol?
The canonical SMILES for (1S)-1-[2-phenyl-4-(trifluoromethyl)quinolin-3-yl]ethanol is C[C@H](O)c1c(-c2ccccc2)nc2ccccc2c1C(F)(F)F.
What is the InChIKey of (1S)-1-[2-phenyl-4-(trifluoromethyl)quinolin-3-yl]ethanol?
The InChIKey is NBLSBVOSOKTILN-NSHDSACASA-N. The full InChI is InChI=1S/C18H14F3NO/c1-11(23)15-16(18(19,20)21)13-9-5-6-10-14(13)22-17(15)12-7-3-2-4-8-12/h2-11,23H,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-phenyl-4-(trifluoromethyl)quinolin-3-yl]ethanol?
(1S)-1-[2-phenyl-4-(trifluoromethyl)quinolin-3-yl]ethanol has a molecular weight of 317.31 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-phenyl-4-(trifluoromethyl)quinolin-3-yl]ethanol is sourced from PubChem (CID 91447505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).