4-[2-(4-chlorophenyl)-6-methoxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenol

C23H22ClNO2 — CID 11731661

IUPAC4-[2-(4-chlorophenyl)-6-methoxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenol
SMILESCOc1ccc2c(c1)CCN(c1ccc(Cl)cc1)C2(C)c1ccc(O)cc1
InChIInChI=1S/C23H22ClNO2/c1-23(17-3-9-20(26)10-4-17)22-12-11-21(27-2)15-16(22)13-14-25(23)19-7-5-18(24)6-8-19/h3-12,15,26H,13-14H2,1-2H3
InChIKeySYRDPZFWQIIENF-UHFFFAOYSA-N
MW379.89 g/mol
LogP5.38
Rot. Bonds3

About 4-[2-(4-chlorophenyl)-6-methoxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenol

4-[2-(4-chlorophenyl)-6-methoxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenol (PubChem CID 11731661) has the molecular formula C23H22ClNO2 and a molecular weight of 379.89 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-6-methoxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenol.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-6-methoxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenol
PubChem CID11731661
Molecular FormulaC23H22ClNO2
Molecular Weight379.89 g/mol
Exact Mass379.13
IUPAC Name4-[2-(4-chlorophenyl)-6-methoxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenol
SMILESCOc1ccc2c(c1)CCN(c1ccc(Cl)cc1)C2(C)c1ccc(O)cc1
InChIInChI=1S/C23H22ClNO2/c1-23(17-3-9-20(26)10-4-17)22-12-11-21(27-2)15-16(22)13-14-25(23)19-7-5-18(24)6-8-19/h3-12,15,26H,13-14H2,1-2H3
InChIKeySYRDPZFWQIIENF-UHFFFAOYSA-N
XLogP5.38
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.89
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)phenol
CID 10982720
6-methoxy-1-methyl-2-(4-methylphenyl)-1-(4-phenylmethoxyphenyl)-3,4-dihydroisoquinoline
CID 11123214
methyl (E)-3-[4-[2-(4-tert-butylphenyl)-6-methoxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enoate
CID 118184875
methyl 3-[4-(6-methoxy-1-methyl-2-thiophen-3-yl-3,4-dihydroisoquinolin-1-yl)phenyl]prop-2-enoate
CID 123764464
methyl (E)-3-[4-[2-(4-cyclopropylphenyl)-6-methoxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enoate
CID 118184767
(E)-3-[4-[2-(4-fluorophenyl)-6-methoxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enehydrazide
CID 118166577
2-(4-fluorophenyl)-6-methoxy-1-methyl-1-[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenyl]-3,4-dihydroisoquinoline
CID 118166593
methyl (E)-3-[4-[6-hydroxy-1-methyl-2-(4-propan-2-ylphenyl)-3,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enoate
CID 118166865
3-[4-[2-(4-fluorophenyl)-6-methoxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenyl]-N-iminopropanamide
CID 123962828
2-(4-fluorophenyl)-6-methoxy-1-methyl-1-[4-[(E)-2-(2-methyltetrazol-5-yl)ethenyl]phenyl]-3,4-dihydroisoquinoline
CID 118166847
methyl (E)-3-[4-[2-(3-fluoro-4-methylphenyl)-6-hydroxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enoate
CID 118184836
2-(3-hydroxyphenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol
CID 10939453

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-6-methoxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenol?
The IUPAC name of 4-[2-(4-chlorophenyl)-6-methoxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenol (CID 11731661) is 4-[2-(4-chlorophenyl)-6-methoxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenol.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-6-methoxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenol?
The canonical SMILES for 4-[2-(4-chlorophenyl)-6-methoxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenol is COc1ccc2c(c1)CCN(c1ccc(Cl)cc1)C2(C)c1ccc(O)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-6-methoxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenol?
The InChIKey is SYRDPZFWQIIENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO2/c1-23(17-3-9-20(26)10-4-17)22-12-11-21(27-2)15-16(22)13-14-25(23)19-7-5-18(24)6-8-19/h3-12,15,26H,13-14H2,1-2H3.
What are the key properties of 4-[2-(4-chlorophenyl)-6-methoxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenol?
4-[2-(4-chlorophenyl)-6-methoxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenol has a molecular weight of 379.89 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-6-methoxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenol is sourced from PubChem (CID 11731661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).