(3-hydroxyphenyl)-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone

C24H21NO4 — CID 11036498

IUPAC(3-hydroxyphenyl)-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone
SMILESCOc1cc2c(cc1OCc1ccccc1)CCN=C2C(=O)c1cccc(O)c1
InChIInChI=1S/C24H21NO4/c1-28-21-14-20-17(13-22(21)29-15-16-6-3-2-4-7-16)10-11-25-23(20)24(27)18-8-5-9-19(26)12-18/h2-9,12-14,26H,10-11,15H2,1H3
InChIKeyAWYIUDPXJOUHAR-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.21
Rot. Bonds6

About (3-hydroxyphenyl)-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone

(3-hydroxyphenyl)-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone (PubChem CID 11036498) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is (3-hydroxyphenyl)-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone.

Molecular Properties

Compound Name(3-hydroxyphenyl)-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone
PubChem CID11036498
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name(3-hydroxyphenyl)-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone
SMILESCOc1cc2c(cc1OCc1ccccc1)CCN=C2C(=O)c1cccc(O)c1
InChIInChI=1S/C24H21NO4/c1-28-21-14-20-17(13-22(21)29-15-16-6-3-2-4-7-16)10-11-25-23(20)24(27)18-8-5-9-19(26)12-18/h2-9,12-14,26H,10-11,15H2,1H3
InChIKeyAWYIUDPXJOUHAR-UHFFFAOYSA-N
XLogP4.21
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl)-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone?
The IUPAC name of (3-hydroxyphenyl)-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone (CID 11036498) is (3-hydroxyphenyl)-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone.
What is the SMILES notation for (3-hydroxyphenyl)-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone?
The canonical SMILES for (3-hydroxyphenyl)-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone is COc1cc2c(cc1OCc1ccccc1)CCN=C2C(=O)c1cccc(O)c1.
What is the InChIKey of (3-hydroxyphenyl)-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone?
The InChIKey is AWYIUDPXJOUHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-28-21-14-20-17(13-22(21)29-15-16-6-3-2-4-7-16)10-11-25-23(20)24(27)18-8-5-9-19(26)12-18/h2-9,12-14,26H,10-11,15H2,1H3.
What are the key properties of (3-hydroxyphenyl)-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone?
(3-hydroxyphenyl)-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone has a molecular weight of 387.44 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl)-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone is sourced from PubChem (CID 11036498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).