(1R)-1-[[4-hydroxy-3-[[(7R,8S)-3-methoxy-8-[(4-methoxyphenyl)methyl]-7,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl]oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol

C39H45NO6 — CID 162995372

About (1R)-1-[[4-hydroxy-3-[[(7R,8S)-3-methoxy-8-[(4-methoxyphenyl)methyl]-7,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl]oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol

(1R)-1-[[4-hydroxy-3-[[(7R,8S)-3-methoxy-8-[(4-methoxyphenyl)methyl]-7,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl]oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol (PubChem CID 162995372) has the molecular formula C39H45NO6 and a molecular weight of 623.79 g/mol. Its IUPAC name is (1R)-1-[[4-hydroxy-3-[[(7R,8S)-3-methoxy-8-[(4-methoxyphenyl)methyl]-7,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl]oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol.

Molecular Properties

• Compound Name: (1R)-1-[[4-hydroxy-3-[[(7R,8S)-3-methoxy-8-[(4-methoxyphenyl)methyl]-7,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl]oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
• PubChem CID: 162995372
• Molecular Formula: C39H45NO6
• Molecular Weight: 623.79 g/mol
• Exact Mass: 623.32
• IUPAC Name: (1R)-1-[[4-hydroxy-3-[[(7R,8S)-3-methoxy-8-[(4-methoxyphenyl)methyl]-7,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl]oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
• SMILES: COc1ccc(C[C@]2(C)c3cc(Oc4cc(C[C@@H]5c6cc(O)c(OC)cc6CCN5C)ccc4O)c(OC)cc3CC[C@H]2C)cc1
• InChI: InChI=1S/C39H45NO6/c1-24-7-11-28-20-37(45-6)38(22-31(28)39(24,2)23-25-8-12-29(43-4)13-9-25)46-36-18-26(10-14-33(36)41)17-32-30-21-34(42)35(44-5)19-27(30)15-16-40(32)3/h8-10,12-14,18-22,24,32,41-42H,7,11,15-17,23H2,1-6H3/t24-,32-,39+/m1/s1
• InChIKey: QRDWMPVLZIOGCZ-QRMOXYPWSA-N
• XLogP: 7.77
• TPSA: 80.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.79
LogP ≤ 5	7.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[[4-hydroxy-3-[[(7R,8S)-3-methoxy-8-[(4-methoxyphenyl)methyl]-7,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl]oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol?

The IUPAC name of (1R)-1-[[4-hydroxy-3-[[(7R,8S)-3-methoxy-8-[(4-methoxyphenyl)methyl]-7,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl]oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol (CID 162995372) is (1R)-1-[[4-hydroxy-3-[[(7R,8S)-3-methoxy-8-[(4-methoxyphenyl)methyl]-7,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl]oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol.

What is the SMILES notation for (1R)-1-[[4-hydroxy-3-[[(7R,8S)-3-methoxy-8-[(4-methoxyphenyl)methyl]-7,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl]oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol?

The canonical SMILES for (1R)-1-[[4-hydroxy-3-[[(7R,8S)-3-methoxy-8-[(4-methoxyphenyl)methyl]-7,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl]oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol is COc1ccc(C[C@]2(C)c3cc(Oc4cc(C[C@@H]5c6cc(O)c(OC)cc6CCN5C)ccc4O)c(OC)cc3CC[C@H]2C)cc1.

What is the InChIKey of (1R)-1-[[4-hydroxy-3-[[(7R,8S)-3-methoxy-8-[(4-methoxyphenyl)methyl]-7,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl]oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol?

The InChIKey is QRDWMPVLZIOGCZ-QRMOXYPWSA-N. The full InChI is InChI=1S/C39H45NO6/c1-24-7-11-28-20-37(45-6)38(22-31(28)39(24,2)23-25-8-12-29(43-4)13-9-25)46-36-18-26(10-14-33(36)41)17-32-30-21-34(42)35(44-5)19-27(30)15-16-40(32)3/h8-10,12-14,18-22,24,32,41-42H,7,11,15-17,23H2,1-6H3/t24-,32-,39+/m1/s1.

What are the key properties of (1R)-1-[[4-hydroxy-3-[[(7R,8S)-3-methoxy-8-[(4-methoxyphenyl)methyl]-7,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl]oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol?

(1R)-1-[[4-hydroxy-3-[[(7R,8S)-3-methoxy-8-[(4-methoxyphenyl)methyl]-7,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl]oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol has a molecular weight of 623.79 g/mol, XLogP of 7.77, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-[[4-hydroxy-3-[[(7R,8S)-3-methoxy-8-[(4-methoxyphenyl)methyl]-7,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl]oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol is sourced from PubChem (CID 162995372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).