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

C17H18BrNO2 — CID 166629253

IUPAC(4R)-6-[(4-bromophenyl)methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCN1Cc2ccc(OCc3ccc(Br)cc3)cc2[C@@H](O)C1
InChIInChI=1S/C17H18BrNO2/c1-19-9-13-4-7-15(8-16(13)17(20)10-19)21-11-12-2-5-14(18)6-3-12/h2-8,17,20H,9-11H2,1H3/t17-/m0/s1
InChIKeySRAQDVWXBZHGOU-KRWDZBQOSA-N
MW348.24 g/mol
LogP3.51
Rot. Bonds3

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

(4R)-6-[(4-bromophenyl)methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol (PubChem CID 166629253) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is (4R)-6-[(4-bromophenyl)methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol.

Molecular Properties

Compound Name(4R)-6-[(4-bromophenyl)methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
PubChem CID166629253
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name(4R)-6-[(4-bromophenyl)methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCN1Cc2ccc(OCc3ccc(Br)cc3)cc2[C@@H](O)C1
InChIInChI=1S/C17H18BrNO2/c1-19-9-13-4-7-15(8-16(13)17(20)10-19)21-11-12-2-5-14(18)6-3-12/h2-8,17,20H,9-11H2,1H3/t17-/m0/s1
InChIKeySRAQDVWXBZHGOU-KRWDZBQOSA-N
XLogP3.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-Bromophenoxy)ethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 1846388
6-bromo-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol;hydrochloride
CID 44531228
(3-bromophenyl)-[1-[(4-ethoxyphenoxy)methyl]-6-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl]methanethione
CID 137637270
(E)-3-(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylprop-2-en-1-amine;hydrochloride
CID 145980833
(2R,4R,11bS)-9,10-bis[(4-bromophenyl)methoxy]-2,4-dimethyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol
CID 155522285
1-(methylamino)-3-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 155535049
(2R,4R,11bS)-9,10-bis[(4-bromophenyl)methoxy]-4-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
CID 155551055
1-(methylamino)-3-(6-phenoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 155558960
(4R)-2-methyl-6-[(4-naphthalen-2-ylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-4-ol
CID 166628434
(4R)-2-methyl-6-[[4-(4-phenylphenyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-4-ol
CID 166635197
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethanol
CID 4335971
2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
CID 18695699

Frequently Asked Questions

What is the IUPAC name of (4R)-6-[(4-bromophenyl)methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol?
The IUPAC name of (4R)-6-[(4-bromophenyl)methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol (CID 166629253) is (4R)-6-[(4-bromophenyl)methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol.
What is the SMILES notation for (4R)-6-[(4-bromophenyl)methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol?
The canonical SMILES for (4R)-6-[(4-bromophenyl)methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol is CN1Cc2ccc(OCc3ccc(Br)cc3)cc2[C@@H](O)C1.
What is the InChIKey of (4R)-6-[(4-bromophenyl)methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol?
The InChIKey is SRAQDVWXBZHGOU-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-19-9-13-4-7-15(8-16(13)17(20)10-19)21-11-12-2-5-14(18)6-3-12/h2-8,17,20H,9-11H2,1H3/t17-/m0/s1.
What are the key properties of (4R)-6-[(4-bromophenyl)methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol?
(4R)-6-[(4-bromophenyl)methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol has a molecular weight of 348.24 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-[(4-bromophenyl)methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol is sourced from PubChem (CID 166629253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).