(S)-(2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol

C16H16N2O2 — CID 730697

IUPAC(S)-(2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol
SMILESCOc1ccc2ccccc2c1[C@H](O)c1nccn1C
InChIInChI=1S/C16H16N2O2/c1-18-10-9-17-16(18)15(19)14-12-6-4-3-5-11(12)7-8-13(14)20-2/h3-10,15,19H,1-2H3/t15-/m0/s1
InChIKeyYEHUPQKRHHAPKB-HNNXBMFYSA-N
MW268.32 g/mol
LogP2.66
Rot. Bonds3

About (S)-(2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol

(S)-(2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol (PubChem CID 730697) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (S)-(2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(S)-(2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol
PubChem CID730697
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(S)-(2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol
SMILESCOc1ccc2ccccc2c1[C@H](O)c1nccn1C
InChIInChI=1S/C16H16N2O2/c1-18-10-9-17-16(18)15(19)14-12-6-4-3-5-11(12)7-8-13(14)20-2/h3-10,15,19H,1-2H3/t15-/m0/s1
InChIKeyYEHUPQKRHHAPKB-HNNXBMFYSA-N
XLogP2.66
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanol
CID 708237
(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol
CID 2870378
(2,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol
CID 2891507
1-(2-methoxynaphthalen-1-yl)-3-methylbutan-1-ol
CID 63895549
1-(2-methoxynaphthalen-1-yl)-4-methylpentan-1-ol
CID 65146073
1-(2-methoxynaphthalen-1-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 75451786
2-ethoxy-1-(2-methoxynaphthalen-1-yl)ethanol
CID 79566432
1-(2-methoxynaphthalen-1-yl)-2-piperazin-1-ylpropan-1-ol
CID 82263008
[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
CID 110220715
(3-amino-4-fluorophenyl)-(2-methoxynaphthalen-1-yl)methanol
CID 118356144
(3S)-3-amino-3-(2-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol
CID 171243957
4-bromo-1-(2-methoxynaphthalen-1-yl)butane-1,2-diol
CID 171892817

Frequently Asked Questions

What is the IUPAC name of (S)-(2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol?
The IUPAC name of (S)-(2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol (CID 730697) is (S)-(2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for (S)-(2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for (S)-(2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol is COc1ccc2ccccc2c1[C@H](O)c1nccn1C.
What is the InChIKey of (S)-(2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol?
The InChIKey is YEHUPQKRHHAPKB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-18-10-9-17-16(18)15(19)14-12-6-4-3-5-11(12)7-8-13(14)20-2/h3-10,15,19H,1-2H3/t15-/m0/s1.
What are the key properties of (S)-(2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol?
(S)-(2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol has a molecular weight of 268.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 730697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).