[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]methanol

C18H21NO2 — CID 62018768

IUPAC[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)cc1CN1CCc2ccccc2C1
InChIInChI=1S/C18H21NO2/c1-21-18-7-6-14(13-20)10-17(18)12-19-9-8-15-4-2-3-5-16(15)11-19/h2-7,10,20H,8-9,11-13H2,1H3
InChIKeyWGPIFPDGZSJGRF-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.75
Rot. Bonds4

About [3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]methanol

[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]methanol (PubChem CID 62018768) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is [3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]methanol
PubChem CID62018768
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)cc1CN1CCc2ccccc2C1
InChIInChI=1S/C18H21NO2/c1-21-18-7-6-14(13-20)10-17(18)12-19-9-8-15-4-2-3-5-16(15)11-19/h2-7,10,20H,8-9,11-13H2,1H3
InChIKeyWGPIFPDGZSJGRF-UHFFFAOYSA-N
XLogP2.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethoxy-4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 765023
2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 791234
[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol
CID 63159605
[3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol
CID 62018213
2-bromo-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-methoxyphenol
CID 2838540
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-iodo-6-methoxyphenol
CID 1375755
7-methoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 25073098
1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]pyrrolidin-2-one
CID 62018410
2-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 1377255
1-[3-(1,3-dihydroisoindol-2-ylmethyl)-4-methoxyphenyl]ethanol
CID 62229958
(2S)-1-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 97274291
[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol
CID 46785371

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]methanol?
The IUPAC name of [3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]methanol (CID 62018768) is [3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]methanol.
What is the SMILES notation for [3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]methanol?
The canonical SMILES for [3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]methanol is COc1ccc(CO)cc1CN1CCc2ccccc2C1.
What is the InChIKey of [3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]methanol?
The InChIKey is WGPIFPDGZSJGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-21-18-7-6-14(13-20)10-17(18)12-19-9-8-15-4-2-3-5-16(15)11-19/h2-7,10,20H,8-9,11-13H2,1H3.
What are the key properties of [3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]methanol?
[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]methanol has a molecular weight of 283.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]methanol is sourced from PubChem (CID 62018768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).