[(3S)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanol

C18H21NO2 — CID 101010637

IUPAC[(3S)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanol
SMILESCOc1ccc(CN2Cc3ccccc3C[C@H]2CO)cc1
InChIInChI=1S/C18H21NO2/c1-21-18-8-6-14(7-9-18)11-19-12-16-5-3-2-4-15(16)10-17(19)13-20/h2-9,17,20H,10-13H2,1H3/t17-/m0/s1
InChIKeyRRSLWIYZNPJKJO-KRWDZBQOSA-N
MW283.37 g/mol
LogP2.61
Rot. Bonds4

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

[(3S)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanol (PubChem CID 101010637) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is [(3S)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanol
PubChem CID101010637
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name[(3S)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanol
SMILESCOc1ccc(CN2Cc3ccccc3C[C@H]2CO)cc1
InChIInChI=1S/C18H21NO2/c1-21-18-8-6-14(7-9-18)11-19-12-16-5-3-2-4-15(16)10-17(19)13-20/h2-9,17,20H,10-13H2,1H3/t17-/m0/s1
InChIKeyRRSLWIYZNPJKJO-KRWDZBQOSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxyphenyl)methyl]-1,3-dihydroisoindole-1-carbonitrile
CID 118491048
[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine
CID 62342737
1-[2-[(4-iodophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine
CID 65478020
2-[3-(4-methoxyphenyl)propyl]-3-methyl-3,4-dihydro-1H-isoquinoline
CID 110457305
[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]methanol
CID 163376784
methyl 2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 112799975
(2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-3-yl)methanol
CID 21224017
[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methanol;molecular hydrogen
CID 177039068
(3S)-7-fluoro-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 51440874
(2R)-1-[(4-methoxyphenyl)methyl]-2-[[[(2R)-1-[(4-methoxyphenyl)methyl]aziridin-2-yl]methyldisulfanyl]methyl]aziridine
CID 101363840
(3S)-3-[(4-methoxyphenyl)methyl]-4-[[4-(pyrrolidin-1-ylmethoxy)phenyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 72725424
2-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 75438446

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanol?
The IUPAC name of [(3S)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanol (CID 101010637) is [(3S)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanol.
What is the SMILES notation for [(3S)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanol?
The canonical SMILES for [(3S)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanol is COc1ccc(CN2Cc3ccccc3C[C@H]2CO)cc1.
What is the InChIKey of [(3S)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanol?
The InChIKey is RRSLWIYZNPJKJO-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21NO2/c1-21-18-8-6-14(7-9-18)11-19-12-16-5-3-2-4-15(16)10-17(19)13-20/h2-9,17,20H,10-13H2,1H3/t17-/m0/s1.
What are the key properties of [(3S)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanol?
[(3S)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanol has a molecular weight of 283.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanol is sourced from PubChem (CID 101010637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).