4,7-dimethoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol

C19H23NO4 — CID 91308814

IUPAC4,7-dimethoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCOc1cc2c(cc1O)C(OC)CN(Cc1ccccc1OC)C2
InChIInChI=1S/C19H23NO4/c1-22-17-7-5-4-6-13(17)10-20-11-14-8-18(23-2)16(21)9-15(14)19(12-20)24-3/h4-9,19,21H,10-12H2,1-3H3
InChIKeyKIMZRLCFYHZSJA-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.11
Rot. Bonds5

About 4,7-dimethoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol

4,7-dimethoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 91308814) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4,7-dimethoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name4,7-dimethoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
PubChem CID91308814
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name4,7-dimethoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCOc1cc2c(cc1O)C(OC)CN(Cc1ccccc1OC)C2
InChIInChI=1S/C19H23NO4/c1-22-17-7-5-4-6-13(17)10-20-11-14-8-18(23-2)16(21)9-15(14)19(12-20)24-3/h4-9,19,21H,10-12H2,1-3H3
InChIKeyKIMZRLCFYHZSJA-UHFFFAOYSA-N
XLogP3.11
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 25073098
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459
(2S,6S)-4-[(2-methoxyphenyl)methyl]-2,6-dimethylmorpholine
CID 6937591
1-[(2-methoxyphenyl)methyl]-3,5-dimethylpiperazine
CID 63863865
2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-5-amine
CID 43370115
4-bromo-2-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenol
CID 1371435
3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 115009462
1-[(2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575175
4-chloro-1-[(2-methoxyphenyl)methyl]piperidine
CID 63389508
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
(3R)-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine
CID 95443854
2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol
CID 24953254

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol?
The IUPAC name of 4,7-dimethoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol (CID 91308814) is 4,7-dimethoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol.
What is the SMILES notation for 4,7-dimethoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol?
The canonical SMILES for 4,7-dimethoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol is COc1cc2c(cc1O)C(OC)CN(Cc1ccccc1OC)C2.
What is the InChIKey of 4,7-dimethoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol?
The InChIKey is KIMZRLCFYHZSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-22-17-7-5-4-6-13(17)10-20-11-14-8-18(23-2)16(21)9-15(14)19(12-20)24-3/h4-9,19,21H,10-12H2,1-3H3.
What are the key properties of 4,7-dimethoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol?
4,7-dimethoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol has a molecular weight of 329.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 91308814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).