3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol

C16H23NO2 — CID 3779112

IUPAC3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol
SMILESCOc1ccc2c(c1)CCN(C1CCCC(O)C1)C2
InChIInChI=1S/C16H23NO2/c1-19-16-6-5-13-11-17(8-7-12(13)9-16)14-3-2-4-15(18)10-14/h5-6,9,14-15,18H,2-4,7-8,10-11H2,1H3
InChIKeyFWTBJEAJFRCRAA-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.36
Rot. Bonds2

About 3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol

3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol (PubChem CID 3779112) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol
PubChem CID3779112
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol
SMILESCOc1ccc2c(c1)CCN(C1CCCC(O)C1)C2
InChIInChI=1S/C16H23NO2/c1-19-16-6-5-13-11-17(8-7-12(13)9-16)14-3-2-4-15(18)10-14/h5-6,9,14-15,18H,2-4,7-8,10-11H2,1H3
InChIKeyFWTBJEAJFRCRAA-UHFFFAOYSA-N
XLogP2.36
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-2-(4-cyclobutylpiperazin-1-yl)ethenyl]-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 91464884
6-cyclobutyl-3,9-dimethoxy-5,7-dihydrobenzo[d][2]benzazepine;ethane
CID 164597946
6,7-dimethoxy-2-[(1R,3S)-3-methylcyclohexyl]-3,4-dihydro-1H-isoquinoline
CID 7445947
(3aS,6aS)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2,3,4,5,6,6a-hexahydro-1H-pentalene-3a-carboxylic acid
CID 136589388
methyl 2-cyclopentyl-3,4-dihydro-1H-isoquinoline-6-carboxylate
CID 82582498
6-bromo-2-cyclobutyl-3,4-dihydro-1H-isoquinoline
CID 84711609
1-(4-cyclopentylpiperazin-1-yl)ethanone;7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
CID 143540790
(6-fluoro-3-pyridinyl)-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone
CID 122615010
1-[6-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]piperidin-4-ol
CID 72891406
6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride
CID 172635030
6,7-dimethoxy-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline
CID 10863641
6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene
CID 11573806

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol?
The IUPAC name of 3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol (CID 3779112) is 3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol?
The canonical SMILES for 3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol is COc1ccc2c(c1)CCN(C1CCCC(O)C1)C2.
What is the InChIKey of 3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol?
The InChIKey is FWTBJEAJFRCRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-19-16-6-5-13-11-17(8-7-12(13)9-16)14-3-2-4-15(18)10-14/h5-6,9,14-15,18H,2-4,7-8,10-11H2,1H3.
What are the key properties of 3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol?
3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol has a molecular weight of 261.36 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 3779112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).