(S)-(4-methylphenyl)-(3-methyl-5,6,7,8-tetrahydroquinolin-8-yl)methanol

C18H21NO — CID 57168622

IUPAC(S)-(4-methylphenyl)-(3-methyl-5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESCc1ccc([C@@H](O)C2CCCc3cc(C)cnc32)cc1
InChIInChI=1S/C18H21NO/c1-12-6-8-14(9-7-12)18(20)16-5-3-4-15-10-13(2)11-19-17(15)16/h6-11,16,18,20H,3-5H2,1-2H3/t16?,18-/m1/s1
InChIKeyCTMXDFKAKWMHIE-UHUGOGIASA-N
MW267.37 g/mol
LogP3.85
Rot. Bonds2

About (S)-(4-methylphenyl)-(3-methyl-5,6,7,8-tetrahydroquinolin-8-yl)methanol

(S)-(4-methylphenyl)-(3-methyl-5,6,7,8-tetrahydroquinolin-8-yl)methanol (PubChem CID 57168622) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (S)-(4-methylphenyl)-(3-methyl-5,6,7,8-tetrahydroquinolin-8-yl)methanol.

Molecular Properties

Compound Name(S)-(4-methylphenyl)-(3-methyl-5,6,7,8-tetrahydroquinolin-8-yl)methanol
PubChem CID57168622
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(S)-(4-methylphenyl)-(3-methyl-5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESCc1ccc([C@@H](O)C2CCCc3cc(C)cnc32)cc1
InChIInChI=1S/C18H21NO/c1-12-6-8-14(9-7-12)18(20)16-5-3-4-15-10-13(2)11-19-17(15)16/h6-11,16,18,20H,3-5H2,1-2H3/t16?,18-/m1/s1
InChIKeyCTMXDFKAKWMHIE-UHUGOGIASA-N
XLogP3.85
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Phenyl(pyridin-3-yl)methanol
CID 234839
Phenyl(pyridin-2-yl)methanol
CID 315585
4-(Hydroxymethyl)quinoline
CID 80479
(+)--5-Hydroxy-3-phenyl-5H-benzo[4,5]cyclohepta[1,2-b]pyridine-9-carbonitrile
CID 10018269
Isoquinolin-1-yl(phenyl)methanol
CID 2789853
(4-Methylphenyl)(4-pyridinyl)methanol
CID 3383504
alpha,alpha-Diphenyl-2-pyridineethanol
CID 234268
(Quinolin-3-yl)methanol
CID 12662983
(2-Methylphenyl)(2-pyridinyl)methanol
CID 5143164
Abiraterone Impurity 89
CID 10247264
2-Hydroxy-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-12-carbonitrile
CID 10448221
(1S)-1-phenyl-2-(pyridin-2-yl)ethan-1-ol
CID 11310145

Frequently Asked Questions

What is the IUPAC name of (S)-(4-methylphenyl)-(3-methyl-5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The IUPAC name of (S)-(4-methylphenyl)-(3-methyl-5,6,7,8-tetrahydroquinolin-8-yl)methanol (CID 57168622) is (S)-(4-methylphenyl)-(3-methyl-5,6,7,8-tetrahydroquinolin-8-yl)methanol.
What is the SMILES notation for (S)-(4-methylphenyl)-(3-methyl-5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The canonical SMILES for (S)-(4-methylphenyl)-(3-methyl-5,6,7,8-tetrahydroquinolin-8-yl)methanol is Cc1ccc([C@@H](O)C2CCCc3cc(C)cnc32)cc1.
What is the InChIKey of (S)-(4-methylphenyl)-(3-methyl-5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The InChIKey is CTMXDFKAKWMHIE-UHUGOGIASA-N. The full InChI is InChI=1S/C18H21NO/c1-12-6-8-14(9-7-12)18(20)16-5-3-4-15-10-13(2)11-19-17(15)16/h6-11,16,18,20H,3-5H2,1-2H3/t16?,18-/m1/s1.
What are the key properties of (S)-(4-methylphenyl)-(3-methyl-5,6,7,8-tetrahydroquinolin-8-yl)methanol?
(S)-(4-methylphenyl)-(3-methyl-5,6,7,8-tetrahydroquinolin-8-yl)methanol has a molecular weight of 267.37 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-methylphenyl)-(3-methyl-5,6,7,8-tetrahydroquinolin-8-yl)methanol is sourced from PubChem (CID 57168622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).