4-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenol;hydrochloride

C22H22ClNO2 — CID 3024625

IUPAC4-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenol;hydrochloride
SMILESCOc1ccc2c(c1)CCN(c1ccccc1)C2c1ccc(O)cc1.Cl
InChIInChI=1S/C22H21NO2.ClH/c1-25-20-11-12-21-17(15-20)13-14-23(18-5-3-2-4-6-18)22(21)16-7-9-19(24)10-8-16;/h2-12,15,22,24H,13-14H2,1H3;1H
InChIKeyKZECABDAAAAXDZ-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.97
Rot. Bonds3

About 4-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenol;hydrochloride

4-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenol;hydrochloride (PubChem CID 3024625) has the molecular formula C22H22ClNO2 and a molecular weight of 367.88 g/mol. Its IUPAC name is 4-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenol;hydrochloride.

Molecular Properties

Compound Name4-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenol;hydrochloride
PubChem CID3024625
Molecular FormulaC22H22ClNO2
Molecular Weight367.88 g/mol
Exact Mass367.13
IUPAC Name4-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenol;hydrochloride
SMILESCOc1ccc2c(c1)CCN(c1ccccc1)C2c1ccc(O)cc1.Cl
InChIInChI=1S/C22H21NO2.ClH/c1-25-20-11-12-21-17(15-20)13-14-23(18-5-3-2-4-6-18)22(21)16-7-9-19(24)10-8-16;/h2-12,15,22,24H,13-14H2,1H3;1H
InChIKeyKZECABDAAAAXDZ-UHFFFAOYSA-N
XLogP4.97
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenol;hydrochloride?
The IUPAC name of 4-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenol;hydrochloride (CID 3024625) is 4-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenol;hydrochloride.
What is the SMILES notation for 4-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenol;hydrochloride?
The canonical SMILES for 4-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenol;hydrochloride is COc1ccc2c(c1)CCN(c1ccccc1)C2c1ccc(O)cc1.Cl.
What is the InChIKey of 4-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenol;hydrochloride?
The InChIKey is KZECABDAAAAXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2.ClH/c1-25-20-11-12-21-17(15-20)13-14-23(18-5-3-2-4-6-18)22(21)16-7-9-19(24)10-8-16;/h2-12,15,22,24H,13-14H2,1H3;1H.
What are the key properties of 4-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenol;hydrochloride?
4-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenol;hydrochloride has a molecular weight of 367.88 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenol;hydrochloride is sourced from PubChem (CID 3024625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).