3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,4-dimethoxyphenyl)propan-1-ol

C20H25NO3 — CID 82073640

IUPAC3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,4-dimethoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(O)CCN2CCc3ccccc3C2)cc1OC
InChIInChI=1S/C20H25NO3/c1-23-19-8-7-16(13-20(19)24-2)18(22)10-12-21-11-9-15-5-3-4-6-17(15)14-21/h3-8,13,18,22H,9-12,14H2,1-2H3
InChIKeyRDVZXYGBECPPML-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.19
Rot. Bonds6

About 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,4-dimethoxyphenyl)propan-1-ol

3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,4-dimethoxyphenyl)propan-1-ol (PubChem CID 82073640) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,4-dimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,4-dimethoxyphenyl)propan-1-ol
PubChem CID82073640
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,4-dimethoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(O)CCN2CCc3ccccc3C2)cc1OC
InChIInChI=1S/C20H25NO3/c1-23-19-8-7-16(13-20(19)24-2)18(22)10-12-21-11-9-15-5-3-4-6-17(15)14-21/h3-8,13,18,22H,9-12,14H2,1-2H3
InChIKeyRDVZXYGBECPPML-UHFFFAOYSA-N
XLogP3.19
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Laudanosine
CID 73397
Reticuline
CID 439653
6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline
CID 27694
(+-)-Laudanosine
CID 15548
(S)-Scoulerine
CID 439654
Stepholidine
CID 6917970
(-)-Tetrahydrocolumbamine
CID 440229
Hydrastinine Hydrochloride
CID 71833
Erysodine
CID 169017
Laudanine
CID 92732
Dihydrotetrabenazine
CID 123836
Hydrastinine
CID 3638

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,4-dimethoxyphenyl)propan-1-ol?
The IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,4-dimethoxyphenyl)propan-1-ol (CID 82073640) is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,4-dimethoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,4-dimethoxyphenyl)propan-1-ol?
The canonical SMILES for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,4-dimethoxyphenyl)propan-1-ol is COc1ccc(C(O)CCN2CCc3ccccc3C2)cc1OC.
What is the InChIKey of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,4-dimethoxyphenyl)propan-1-ol?
The InChIKey is RDVZXYGBECPPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-23-19-8-7-16(13-20(19)24-2)18(22)10-12-21-11-9-15-5-3-4-6-17(15)14-21/h3-8,13,18,22H,9-12,14H2,1-2H3.
What are the key properties of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,4-dimethoxyphenyl)propan-1-ol?
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,4-dimethoxyphenyl)propan-1-ol has a molecular weight of 327.42 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,4-dimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 82073640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).