4-[[3,4-dimethoxy-5-(2-methylpropoxy)phenyl]methyl]-1-ethoxyisoquinolin-8-ol

C24H29NO5 — CID 137045480

IUPAC4-[[3,4-dimethoxy-5-(2-methylpropoxy)phenyl]methyl]-1-ethoxyisoquinolin-8-ol
SMILESCCOc1ncc(Cc2cc(OC)c(OC)c(OCC(C)C)c2)c2cccc(O)c12
InChIInChI=1S/C24H29NO5/c1-6-29-24-22-18(8-7-9-19(22)26)17(13-25-24)10-16-11-20(27-4)23(28-5)21(12-16)30-14-15(2)3/h7-9,11-13,15,26H,6,10,14H2,1-5H3
InChIKeyOXDKVDZENOQGPM-UHFFFAOYSA-N
MW411.50 g/mol
LogP4.98
Rot. Bonds9

About 4-[[3,4-dimethoxy-5-(2-methylpropoxy)phenyl]methyl]-1-ethoxyisoquinolin-8-ol

4-[[3,4-dimethoxy-5-(2-methylpropoxy)phenyl]methyl]-1-ethoxyisoquinolin-8-ol (PubChem CID 137045480) has the molecular formula C24H29NO5 and a molecular weight of 411.50 g/mol. Its IUPAC name is 4-[[3,4-dimethoxy-5-(2-methylpropoxy)phenyl]methyl]-1-ethoxyisoquinolin-8-ol.

Molecular Properties

Compound Name4-[[3,4-dimethoxy-5-(2-methylpropoxy)phenyl]methyl]-1-ethoxyisoquinolin-8-ol
PubChem CID137045480
Molecular FormulaC24H29NO5
Molecular Weight411.50 g/mol
Exact Mass411.20
IUPAC Name4-[[3,4-dimethoxy-5-(2-methylpropoxy)phenyl]methyl]-1-ethoxyisoquinolin-8-ol
SMILESCCOc1ncc(Cc2cc(OC)c(OC)c(OCC(C)C)c2)c2cccc(O)c12
InChIInChI=1S/C24H29NO5/c1-6-29-24-22-18(8-7-9-19(22)26)17(13-25-24)10-16-11-20(27-4)23(28-5)21(12-16)30-14-15(2)3/h7-9,11-13,15,26H,6,10,14H2,1-5H3
InChIKeyOXDKVDZENOQGPM-UHFFFAOYSA-N
XLogP4.98
TPSA70.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3,4-dimethoxy-5-(2-methylpropoxy)phenyl]methyl]-7-ethoxyisoquinolin-8-ol
CID 135993788
4-[[3,4-dimethoxy-5-(2,2,2-trifluoroethoxy)phenyl]methyl]-7-ethoxyisoquinolin-8-ol;dihydrochloride
CID 135993789
5-[[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine
CID 12752257
4-[(3-amino-4-ethoxy-5-methoxyphenyl)methyl]-7-ethoxyisoquinolin-8-ol;methane
CID 161062966
4-[(3,5-dimethoxy-4-prop-2-enoxyphenyl)methyl]-7-ethoxyisoquinolin-8-ol;hydrochloride
CID 135993762
5-methylquinolin-8-ol;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 69226902
5-[[3-(ethoxymethoxy)-4,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine
CID 101196638
5-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 12752253
1-(3-ethoxy-4,5-dimethoxyphenyl)ethanamine
CID 175788959
9,18-bis(2-methylpropoxy)hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2,4,6,8,10,13,15,17,19-decaene-12,22-dione
CID 19991312
4-[(4-anilino-3,5-dimethoxyphenyl)methyl]-7-ethoxyisoquinolin-8-ol
CID 135993739
(1S)-1-(3-ethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 94809075

Frequently Asked Questions

What is the IUPAC name of 4-[[3,4-dimethoxy-5-(2-methylpropoxy)phenyl]methyl]-1-ethoxyisoquinolin-8-ol?
The IUPAC name of 4-[[3,4-dimethoxy-5-(2-methylpropoxy)phenyl]methyl]-1-ethoxyisoquinolin-8-ol (CID 137045480) is 4-[[3,4-dimethoxy-5-(2-methylpropoxy)phenyl]methyl]-1-ethoxyisoquinolin-8-ol.
What is the SMILES notation for 4-[[3,4-dimethoxy-5-(2-methylpropoxy)phenyl]methyl]-1-ethoxyisoquinolin-8-ol?
The canonical SMILES for 4-[[3,4-dimethoxy-5-(2-methylpropoxy)phenyl]methyl]-1-ethoxyisoquinolin-8-ol is CCOc1ncc(Cc2cc(OC)c(OC)c(OCC(C)C)c2)c2cccc(O)c12.
What is the InChIKey of 4-[[3,4-dimethoxy-5-(2-methylpropoxy)phenyl]methyl]-1-ethoxyisoquinolin-8-ol?
The InChIKey is OXDKVDZENOQGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO5/c1-6-29-24-22-18(8-7-9-19(22)26)17(13-25-24)10-16-11-20(27-4)23(28-5)21(12-16)30-14-15(2)3/h7-9,11-13,15,26H,6,10,14H2,1-5H3.
What are the key properties of 4-[[3,4-dimethoxy-5-(2-methylpropoxy)phenyl]methyl]-1-ethoxyisoquinolin-8-ol?
4-[[3,4-dimethoxy-5-(2-methylpropoxy)phenyl]methyl]-1-ethoxyisoquinolin-8-ol has a molecular weight of 411.50 g/mol, XLogP of 4.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,4-dimethoxy-5-(2-methylpropoxy)phenyl]methyl]-1-ethoxyisoquinolin-8-ol is sourced from PubChem (CID 137045480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).