7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

C18H19NO4 — CID 15296734

IUPAC7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
SMILESCOc1cc2c(cc1OCc1ccccc1)CC(C(=O)O)NC2
InChIInChI=1S/C18H19NO4/c1-22-16-9-14-10-19-15(18(20)21)7-13(14)8-17(16)23-11-12-5-3-2-4-6-12/h2-6,8-9,15,19H,7,10-11H2,1H3,(H,20,21)
InChIKeyFOTCGZFQWIGCBL-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.37
Rot. Bonds5

About 7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (PubChem CID 15296734) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
PubChem CID15296734
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
SMILESCOc1cc2c(cc1OCc1ccccc1)CC(C(=O)O)NC2
InChIInChI=1S/C18H19NO4/c1-22-16-9-14-10-19-15(18(20)21)7-13(14)8-17(16)23-11-12-5-3-2-4-6-12/h2-6,8-9,15,19H,7,10-11H2,1H3,(H,20,21)
InChIKeyFOTCGZFQWIGCBL-UHFFFAOYSA-N
XLogP2.37
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroquinolin-3-ol
CID 102281148
tert-butyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 74600462
(3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
CID 7201454
6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 123462493
benzene;6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 142501010
2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 4037304
3-[(E)-2-(7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)ethenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-6-carboxylic acid
CID 162430724
benzyl 6-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 139684368
2-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 82228571
6-methoxy-7-phenylmethoxy-1-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 4026358
1-(7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-methylidenehexan-2-one
CID 59863269
5,12,19-tris[[3,5-bis(phenylmethoxy)phenyl]methoxy]-6,13,20-trimethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
CID 100981956

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The IUPAC name of 7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CID 15296734) is 7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The canonical SMILES for 7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is COc1cc2c(cc1OCc1ccccc1)CC(C(=O)O)NC2.
What is the InChIKey of 7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The InChIKey is FOTCGZFQWIGCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-22-16-9-14-10-19-15(18(20)21)7-13(14)8-17(16)23-11-12-5-3-2-4-6-12/h2-6,8-9,15,19H,7,10-11H2,1H3,(H,20,21).
What are the key properties of 7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid has a molecular weight of 313.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is sourced from PubChem (CID 15296734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).