2-chloro-4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenol;hydrochloride

C19H23Cl2NO3 — CID 44522336

IUPAC2-chloro-4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenol;hydrochloride
SMILESCCOc1cc2c(cc1OCC)C(c1ccc(O)c(Cl)c1)NCC2.Cl
InChIInChI=1S/C19H22ClNO3.ClH/c1-3-23-17-10-12-7-8-21-19(14(12)11-18(17)24-4-2)13-5-6-16(22)15(20)9-13;/h5-6,9-11,19,21-22H,3-4,7-8H2,1-2H3;1H
InChIKeyYLOAGLHIJUHJOO-UHFFFAOYSA-N
MW384.30 g/mol
LogP4.50
Rot. Bonds5

About 2-chloro-4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenol;hydrochloride

2-chloro-4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenol;hydrochloride (PubChem CID 44522336) has the molecular formula C19H23Cl2NO3 and a molecular weight of 384.30 g/mol. Its IUPAC name is 2-chloro-4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenol;hydrochloride.

Molecular Properties

Compound Name2-chloro-4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenol;hydrochloride
PubChem CID44522336
Molecular FormulaC19H23Cl2NO3
Molecular Weight384.30 g/mol
Exact Mass383.11
IUPAC Name2-chloro-4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenol;hydrochloride
SMILESCCOc1cc2c(cc1OCC)C(c1ccc(O)c(Cl)c1)NCC2.Cl
InChIInChI=1S/C19H22ClNO3.ClH/c1-3-23-17-10-12-7-8-21-19(14(12)11-18(17)24-4-2)13-5-6-16(22)15(20)9-13;/h5-6,9-11,19,21-22H,3-4,7-8H2,1-2H3;1H
InChIKeyYLOAGLHIJUHJOO-UHFFFAOYSA-N
XLogP4.50
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-Coclaurine
CID 440989
Metofoline
CID 16538
Coclaurine
CID 160487
(+-)-Norreticuline
CID 443766
Norarmepavine
CID 6999736
Machiline
CID 281691
4-[(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenol
CID 317405
6-O-Methylnorlaudanosoline
CID 182440
(S)-Norreticuline
CID 441069
2-Chloro-4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-ethoxyphenol
CID 3557460
(R)-Norreticuline
CID 441066
6,7-Diethoxy-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3519554

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenol;hydrochloride?
The IUPAC name of 2-chloro-4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenol;hydrochloride (CID 44522336) is 2-chloro-4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenol;hydrochloride.
What is the SMILES notation for 2-chloro-4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenol;hydrochloride?
The canonical SMILES for 2-chloro-4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenol;hydrochloride is CCOc1cc2c(cc1OCC)C(c1ccc(O)c(Cl)c1)NCC2.Cl.
What is the InChIKey of 2-chloro-4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenol;hydrochloride?
The InChIKey is YLOAGLHIJUHJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3.ClH/c1-3-23-17-10-12-7-8-21-19(14(12)11-18(17)24-4-2)13-5-6-16(22)15(20)9-13;/h5-6,9-11,19,21-22H,3-4,7-8H2,1-2H3;1H.
What are the key properties of 2-chloro-4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenol;hydrochloride?
2-chloro-4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenol;hydrochloride has a molecular weight of 384.30 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenol;hydrochloride is sourced from PubChem (CID 44522336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).