(4R)-2-methyl-6-[[4-(4-phenylphenyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-4-ol

C29H27NO2 — CID 166635197

IUPAC(4R)-2-methyl-6-[[4-(4-phenylphenyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCN1Cc2ccc(OCc3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2[C@@H](O)C1
InChIInChI=1S/C29H27NO2/c1-30-18-26-15-16-27(17-28(26)29(31)19-30)32-20-21-7-9-23(10-8-21)25-13-11-24(12-14-25)22-5-3-2-4-6-22/h2-17,29,31H,18-20H2,1H3/t29-/m0/s1
InChIKeyPXPXALVPIDVZGB-LJAQVGFWSA-N
MW421.54 g/mol
LogP6.08
Rot. Bonds5

About (4R)-2-methyl-6-[[4-(4-phenylphenyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-4-ol

(4R)-2-methyl-6-[[4-(4-phenylphenyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-4-ol (PubChem CID 166635197) has the molecular formula C29H27NO2 and a molecular weight of 421.54 g/mol. Its IUPAC name is (4R)-2-methyl-6-[[4-(4-phenylphenyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-4-ol.

Molecular Properties

Compound Name(4R)-2-methyl-6-[[4-(4-phenylphenyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-4-ol
PubChem CID166635197
Molecular FormulaC29H27NO2
Molecular Weight421.54 g/mol
Exact Mass421.20
IUPAC Name(4R)-2-methyl-6-[[4-(4-phenylphenyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCN1Cc2ccc(OCc3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2[C@@H](O)C1
InChIInChI=1S/C29H27NO2/c1-30-18-26-15-16-27(17-28(26)29(31)19-30)32-20-21-7-9-23(10-8-21)25-13-11-24(12-14-25)22-5-3-2-4-6-22/h2-17,29,31H,18-20H2,1H3/t29-/m0/s1
InChIKeyPXPXALVPIDVZGB-LJAQVGFWSA-N
XLogP6.08
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-2-methyl-6-[[4-(4-phenylphenyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-4-ol with MolForge

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Related Compounds

6-(4-Hydroxyphenyl)-5-({4-[2-(piperidin-1-yl)ethoxy]phenyl}methyl)naphthalen-2-ol
CID 9803972
4'-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-ylmethyl)biphenyl-4-ol
CID 25113688
12-[4-(2-Piperidin-1-ylethoxy)phenyl]-7,12-dihydrobenzo[a]anthracene-3,9-diol
CID 9804538
6-(4-Hydroxyphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol;hydrochloride
CID 9957211
12-[4-(2-Piperidin-1-ylethoxy)phenyl]-7,12-dihydrobenzo[a]anthracene-3,10-diol
CID 10434655
(13aS,14S)-6,7-diethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine-3,14-diol
CID 46187365
7-(Benzyloxy)-1-[4-(benzyloxy)benzyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
CID 13892139
12-[4-(2-Piperidin-1-ylethoxy)phenyl]benzo[a]anthracene-3,10-diol
CID 44393779
(14aS,15S)-3,6,7-trimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizin-15-ol
CID 57395710
(14aR,15R)-3,6,7-trimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizin-15-ol
CID 57400948
3,6,7-trimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizin-15-ol
CID 72709651
1-[Methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 4374275

Frequently Asked Questions

What is the IUPAC name of (4R)-2-methyl-6-[[4-(4-phenylphenyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-4-ol?
The IUPAC name of (4R)-2-methyl-6-[[4-(4-phenylphenyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-4-ol (CID 166635197) is (4R)-2-methyl-6-[[4-(4-phenylphenyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-4-ol.
What is the SMILES notation for (4R)-2-methyl-6-[[4-(4-phenylphenyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-4-ol?
The canonical SMILES for (4R)-2-methyl-6-[[4-(4-phenylphenyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-4-ol is CN1Cc2ccc(OCc3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2[C@@H](O)C1.
What is the InChIKey of (4R)-2-methyl-6-[[4-(4-phenylphenyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-4-ol?
The InChIKey is PXPXALVPIDVZGB-LJAQVGFWSA-N. The full InChI is InChI=1S/C29H27NO2/c1-30-18-26-15-16-27(17-28(26)29(31)19-30)32-20-21-7-9-23(10-8-21)25-13-11-24(12-14-25)22-5-3-2-4-6-22/h2-17,29,31H,18-20H2,1H3/t29-/m0/s1.
What are the key properties of (4R)-2-methyl-6-[[4-(4-phenylphenyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-4-ol?
(4R)-2-methyl-6-[[4-(4-phenylphenyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-4-ol has a molecular weight of 421.54 g/mol, XLogP of 6.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-methyl-6-[[4-(4-phenylphenyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-4-ol is sourced from PubChem (CID 166635197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).