4-(1-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)phenol

C29H27NO2 — CID 10982720

IUPAC4-(1-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)phenol
SMILESCC1(c2ccc(O)cc2)c2ccc(OCc3ccccc3)cc2CCN1c1ccccc1
InChIInChI=1S/C29H27NO2/c1-29(24-12-14-26(31)15-13-24)28-17-16-27(32-21-22-8-4-2-5-9-22)20-23(28)18-19-30(29)25-10-6-3-7-11-25/h2-17,20,31H,18-19,21H2,1H3
InChIKeyQLPGQCYSWPJVKF-UHFFFAOYSA-N
MW421.54 g/mol
LogP6.30
Rot. Bonds5

About 4-(1-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)phenol

4-(1-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)phenol (PubChem CID 10982720) has the molecular formula C29H27NO2 and a molecular weight of 421.54 g/mol. Its IUPAC name is 4-(1-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)phenol.

Molecular Properties

Compound Name4-(1-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)phenol
PubChem CID10982720
Molecular FormulaC29H27NO2
Molecular Weight421.54 g/mol
Exact Mass421.20
IUPAC Name4-(1-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)phenol
SMILESCC1(c2ccc(O)cc2)c2ccc(OCc3ccccc3)cc2CCN1c1ccccc1
InChIInChI=1S/C29H27NO2/c1-29(24-12-14-26(31)15-13-24)28-17-16-27(32-21-22-8-4-2-5-9-22)20-23(28)18-19-30(29)25-10-6-3-7-11-25/h2-17,20,31H,18-19,21H2,1H3
InChIKeyQLPGQCYSWPJVKF-UHFFFAOYSA-N
XLogP6.30
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 ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-1-methyl-2-(4-methylphenyl)-1-(4-phenylmethoxyphenyl)-3,4-dihydroisoquinoline
CID 11123214
2-(3-hydroxyphenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol
CID 10939453
2'-methyl-6-phenylmethoxyspiro[1,2-dihydroindene-3,1'-cyclopropane]
CID 134164541
2-[1-(4-bromophenyl)-2-(2-fluoro-2-methylpropyl)-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl]-2,2-difluoroacetic acid
CID 131988989
1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene
CID 91488860
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
1-(4-bromophenyl)-1-(difluoromethyl)-2-(2-fluoro-2-methylpropyl)-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 131989040
methyl (E)-3-[4-[6-hydroxy-1-methyl-2-(4-propan-2-ylphenyl)-3,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enoate
CID 118166865
tert-butyl 6-phenylmethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 139321101
3,3-dimethyl-2H-1-benzofuran-6-ol;3,3-dimethyl-6-phenylmethoxy-2H-1-benzofuran
CID 157225456
(E)-3-[4-[2-(4-fluorophenyl)-6-methoxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enehydrazide
CID 118166577
[(3R,11bR)-11b-benzyl-9-phenylmethoxy-3-propyl-2,4,6,7-tetrahydro-1H-benzo[a]quinolizin-3-yl]methanol
CID 68582796

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)phenol?
The IUPAC name of 4-(1-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)phenol (CID 10982720) is 4-(1-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)phenol.
What is the SMILES notation for 4-(1-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)phenol?
The canonical SMILES for 4-(1-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)phenol is CC1(c2ccc(O)cc2)c2ccc(OCc3ccccc3)cc2CCN1c1ccccc1.
What is the InChIKey of 4-(1-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)phenol?
The InChIKey is QLPGQCYSWPJVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO2/c1-29(24-12-14-26(31)15-13-24)28-17-16-27(32-21-22-8-4-2-5-9-22)20-23(28)18-19-30(29)25-10-6-3-7-11-25/h2-17,20,31H,18-19,21H2,1H3.
What are the key properties of 4-(1-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)phenol?
4-(1-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)phenol has a molecular weight of 421.54 g/mol, XLogP of 6.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)phenol is sourced from PubChem (CID 10982720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).