2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol

C20H25NO4 — CID 71453580

IUPAC2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCOc1cc2c(cc1O)CCN(CCc1ccc(OC)c(OC)c1)C2
InChIInChI=1S/C20H25NO4/c1-23-18-5-4-14(10-20(18)25-3)6-8-21-9-7-15-11-17(22)19(24-2)12-16(15)13-21/h4-5,10-12,22H,6-9,13H2,1-3H3
InChIKeyFQPVSFOVECLZPH-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.02
Rot. Bonds6

About 2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol

2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 71453580) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
PubChem CID71453580
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCOc1cc2c(cc1O)CCN(CCc1ccc(OC)c(OC)c1)C2
InChIInChI=1S/C20H25NO4/c1-23-18-5-4-14(10-20(18)25-3)6-8-21-9-7-15-11-17(22)19(24-2)12-16(15)13-21/h4-5,10-12,22H,6-9,13H2,1-3H3
InChIKeyFQPVSFOVECLZPH-UHFFFAOYSA-N
XLogP3.02
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-fluorophenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 71453579
4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]aniline
CID 10041227
2-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 1377255
7-methoxy-2-(3-sulfanylpropyl)-3,4-dihydro-1H-isoquinolin-6-ol
CID 175409105
2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol
CID 24953254
7-methoxy-2-[2-(5-phenylthiophen-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 175409087
7-methoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 25073098
2-[(3,5-difluorophenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 91227364
1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-one
CID 117012812
2-amino-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxyphenyl]benzamide
CID 70011881
1-(4-aminophenyl)-3-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]urea
CID 44565509
6,7-dimethoxy-2-[2-[4-(triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline
CID 174718958

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol (CID 71453580) is 2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol is COc1cc2c(cc1O)CCN(CCc1ccc(OC)c(OC)c1)C2.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol?
The InChIKey is FQPVSFOVECLZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-23-18-5-4-14(10-20(18)25-3)6-8-21-9-7-15-11-17(22)19(24-2)12-16(15)13-21/h4-5,10-12,22H,6-9,13H2,1-3H3.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol?
2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol has a molecular weight of 343.42 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 71453580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).