ethane;1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol

C18H23NO — CID 145379970

IUPACethane;1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
SMILESCC.Cc1ccc(C2NCCc3cc(O)ccc32)cc1
InChIInChI=1S/C16H17NO.C2H6/c1-11-2-4-12(5-3-11)16-15-7-6-14(18)10-13(15)8-9-17-16;1-2/h2-7,10,16-18H,8-9H2,1H3;1-2H3
InChIKeyVGFQRYNORPQIDU-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.96
Rot. Bonds1

About ethane;1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol

ethane;1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol (PubChem CID 145379970) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is ethane;1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol.

Molecular Properties

Compound Nameethane;1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
PubChem CID145379970
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Nameethane;1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
SMILESCC.Cc1ccc(C2NCCc3cc(O)ccc32)cc1
InChIInChI=1S/C16H17NO.C2H6/c1-11-2-4-12(5-3-11)16-15-7-6-14(18)10-13(15)8-9-17-16;1-2/h2-7,10,16-18H,8-9H2,1H3;1-2H3
InChIKeyVGFQRYNORPQIDU-UHFFFAOYSA-N
XLogP3.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 4983618
(1S)-6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 42054854
1-(2,5-dichlorophenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 4287883
(1R)-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 93031696
1-(4-tert-butylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106543718
1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 4669937
(1R)-1-(3-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 93488975
1-(3-butoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 3640554
1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 4274829
(1R)-1-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 7047806
(1R)-1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 96972794
(1S)-1-(3-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 27108865

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol?
The IUPAC name of ethane;1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol (CID 145379970) is ethane;1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol.
What is the SMILES notation for ethane;1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol?
The canonical SMILES for ethane;1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol is CC.Cc1ccc(C2NCCc3cc(O)ccc32)cc1.
What is the InChIKey of ethane;1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol?
The InChIKey is VGFQRYNORPQIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO.C2H6/c1-11-2-4-12(5-3-11)16-15-7-6-14(18)10-13(15)8-9-17-16;1-2/h2-7,10,16-18H,8-9H2,1H3;1-2H3.
What are the key properties of ethane;1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol?
ethane;1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol has a molecular weight of 269.39 g/mol, XLogP of 3.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol is sourced from PubChem (CID 145379970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).