(1S)-1-[4-methoxy-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]ethanol

C13H16N2O4 — CID 82001492

IUPAC(1S)-1-[4-methoxy-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]ethanol
SMILESCOc1ccc([C@H](C)O)c(OCc2nonc2C)c1
InChIInChI=1S/C13H16N2O4/c1-8-12(15-19-14-8)7-18-13-6-10(17-3)4-5-11(13)9(2)16/h4-6,9,16H,7H2,1-3H3/t9-/m0/s1
InChIKeyVWCVRUDSAWUEDZ-VIFPVBQESA-N
MW264.28 g/mol
LogP2.02
Rot. Bonds5

About (1S)-1-[4-methoxy-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]ethanol

(1S)-1-[4-methoxy-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]ethanol (PubChem CID 82001492) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is (1S)-1-[4-methoxy-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-methoxy-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]ethanol
PubChem CID82001492
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name(1S)-1-[4-methoxy-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]ethanol
SMILESCOc1ccc([C@H](C)O)c(OCc2nonc2C)c1
InChIInChI=1S/C13H16N2O4/c1-8-12(15-19-14-8)7-18-13-6-10(17-3)4-5-11(13)9(2)16/h4-6,9,16H,7H2,1-3H3/t9-/m0/s1
InChIKeyVWCVRUDSAWUEDZ-VIFPVBQESA-N
XLogP2.02
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-1-[4-methoxy-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]ethanol with MolForge

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Related Compounds

1-[4-methoxy-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 82001778
(1S)-1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 82002108
(1S)-1-[4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 82001564
(1S)-1-[4-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 82001017
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82003422
1-[4-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 82001009
(1R)-1-[4-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanol
CID 82000952
(1R)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82001505
(1S)-1-[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82001713
(1R)-1-[2-[(2,5-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002762
(1R)-1-[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]ethanol
CID 82001197

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-methoxy-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[4-methoxy-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]ethanol (CID 82001492) is (1S)-1-[4-methoxy-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-methoxy-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-methoxy-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]ethanol is COc1ccc([C@H](C)O)c(OCc2nonc2C)c1.
What is the InChIKey of (1S)-1-[4-methoxy-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]ethanol?
The InChIKey is VWCVRUDSAWUEDZ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8-12(15-19-14-8)7-18-13-6-10(17-3)4-5-11(13)9(2)16/h4-6,9,16H,7H2,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-1-[4-methoxy-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]ethanol?
(1S)-1-[4-methoxy-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]ethanol has a molecular weight of 264.28 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-methoxy-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 82001492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).