(4-fluoro-2-methylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol

C17H18FNO — CID 65041819

IUPAC(4-fluoro-2-methylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol
SMILESCc1cc(F)ccc1C(O)C1CCc2ccccc2N1
InChIInChI=1S/C17H18FNO/c1-11-10-13(18)7-8-14(11)17(20)16-9-6-12-4-2-3-5-15(12)19-16/h2-5,7-8,10,16-17,19-20H,6,9H2,1H3
InChIKeySCQUFJZHFUIERK-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.59
Rot. Bonds2

About (4-fluoro-2-methylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol

(4-fluoro-2-methylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol (PubChem CID 65041819) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol
PubChem CID65041819
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name(4-fluoro-2-methylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol
SMILESCc1cc(F)ccc1C(O)C1CCc2ccccc2N1
InChIInChI=1S/C17H18FNO/c1-11-10-13(18)7-8-14(11)17(20)16-9-6-12-4-2-3-5-15(12)19-16/h2-5,7-8,10,16-17,19-20H,6,9H2,1H3
InChIKeySCQUFJZHFUIERK-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol?
The IUPAC name of (4-fluoro-2-methylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol (CID 65041819) is (4-fluoro-2-methylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol?
The canonical SMILES for (4-fluoro-2-methylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol is Cc1cc(F)ccc1C(O)C1CCc2ccccc2N1.
What is the InChIKey of (4-fluoro-2-methylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol?
The InChIKey is SCQUFJZHFUIERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-11-10-13(18)7-8-14(11)17(20)16-9-6-12-4-2-3-5-15(12)19-16/h2-5,7-8,10,16-17,19-20H,6,9H2,1H3.
What are the key properties of (4-fluoro-2-methylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol?
(4-fluoro-2-methylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol has a molecular weight of 271.34 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol is sourced from PubChem (CID 65041819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).