3,4-dimethyl-1-(2-methylquinolin-6-yl)cyclohexan-1-ol

C18H23NO — CID 81215757

IUPAC3,4-dimethyl-1-(2-methylquinolin-6-yl)cyclohexan-1-ol
SMILESCc1ccc2cc(C3(O)CCC(C)C(C)C3)ccc2n1
InChIInChI=1S/C18H23NO/c1-12-8-9-18(20,11-13(12)2)16-6-7-17-15(10-16)5-4-14(3)19-17/h4-7,10,12-13,20H,8-9,11H2,1-3H3
InChIKeyULOWRXHMTPXLMF-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.19
Rot. Bonds1

About 3,4-dimethyl-1-(2-methylquinolin-6-yl)cyclohexan-1-ol

3,4-dimethyl-1-(2-methylquinolin-6-yl)cyclohexan-1-ol (PubChem CID 81215757) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3,4-dimethyl-1-(2-methylquinolin-6-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3,4-dimethyl-1-(2-methylquinolin-6-yl)cyclohexan-1-ol
PubChem CID81215757
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3,4-dimethyl-1-(2-methylquinolin-6-yl)cyclohexan-1-ol
SMILESCc1ccc2cc(C3(O)CCC(C)C(C)C3)ccc2n1
InChIInChI=1S/C18H23NO/c1-12-8-9-18(20,11-13(12)2)16-6-7-17-15(10-16)5-4-14(3)19-17/h4-7,10,12-13,20H,8-9,11H2,1-3H3
InChIKeyULOWRXHMTPXLMF-UHFFFAOYSA-N
XLogP4.19
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(2-methylquinolin-6-yl)cyclohexan-1-ol?
The IUPAC name of 3,4-dimethyl-1-(2-methylquinolin-6-yl)cyclohexan-1-ol (CID 81215757) is 3,4-dimethyl-1-(2-methylquinolin-6-yl)cyclohexan-1-ol.
What is the SMILES notation for 3,4-dimethyl-1-(2-methylquinolin-6-yl)cyclohexan-1-ol?
The canonical SMILES for 3,4-dimethyl-1-(2-methylquinolin-6-yl)cyclohexan-1-ol is Cc1ccc2cc(C3(O)CCC(C)C(C)C3)ccc2n1.
What is the InChIKey of 3,4-dimethyl-1-(2-methylquinolin-6-yl)cyclohexan-1-ol?
The InChIKey is ULOWRXHMTPXLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-12-8-9-18(20,11-13(12)2)16-6-7-17-15(10-16)5-4-14(3)19-17/h4-7,10,12-13,20H,8-9,11H2,1-3H3.
What are the key properties of 3,4-dimethyl-1-(2-methylquinolin-6-yl)cyclohexan-1-ol?
3,4-dimethyl-1-(2-methylquinolin-6-yl)cyclohexan-1-ol has a molecular weight of 269.39 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(2-methylquinolin-6-yl)cyclohexan-1-ol is sourced from PubChem (CID 81215757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).