(1R)-1-[2-[(E)-but-2-enoxy]-4-methoxyphenyl]ethanol

C13H18O3 — CID 82001259

IUPAC(1R)-1-[2-[(E)-but-2-enoxy]-4-methoxyphenyl]ethanol
SMILESC/C=C/COc1cc(OC)ccc1[C@@H](C)O
InChIInChI=1S/C13H18O3/c1-4-5-8-16-13-9-11(15-3)6-7-12(13)10(2)14/h4-7,9-10,14H,8H2,1-3H3/b5-4+/t10-/m1/s1
InChIKeyORNNRHDGHJKCSR-ORAHPGNNSA-N
MW222.28 g/mol
LogP2.70
Rot. Bonds5

About (1R)-1-[2-[(E)-but-2-enoxy]-4-methoxyphenyl]ethanol

(1R)-1-[2-[(E)-but-2-enoxy]-4-methoxyphenyl]ethanol (PubChem CID 82001259) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is (1R)-1-[2-[(E)-but-2-enoxy]-4-methoxyphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[(E)-but-2-enoxy]-4-methoxyphenyl]ethanol
PubChem CID82001259
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name(1R)-1-[2-[(E)-but-2-enoxy]-4-methoxyphenyl]ethanol
SMILESC/C=C/COc1cc(OC)ccc1[C@@H](C)O
InChIInChI=1S/C13H18O3/c1-4-5-8-16-13-9-11(15-3)6-7-12(13)10(2)14/h4-7,9-10,14H,8H2,1-3H3/b5-4+/t10-/m1/s1
InChIKeyORNNRHDGHJKCSR-ORAHPGNNSA-N
XLogP2.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[2-(2-fluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001883
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
1-[2-[(E)-but-2-enoxy]phenyl]ethanol
CID 43504052
(1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol
CID 82001096
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol
CID 82001079
1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001163
(1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol
CID 83158123
(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
CID 82001094
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propane-1,2-diol
CID 82850808
2-but-2-enoxy-4-methoxybenzoic acid
CID 61379318
methyl 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propanoate
CID 82001396

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(E)-but-2-enoxy]-4-methoxyphenyl]ethanol?
The IUPAC name of (1R)-1-[2-[(E)-but-2-enoxy]-4-methoxyphenyl]ethanol (CID 82001259) is (1R)-1-[2-[(E)-but-2-enoxy]-4-methoxyphenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[(E)-but-2-enoxy]-4-methoxyphenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[(E)-but-2-enoxy]-4-methoxyphenyl]ethanol is C/C=C/COc1cc(OC)ccc1[C@@H](C)O.
What is the InChIKey of (1R)-1-[2-[(E)-but-2-enoxy]-4-methoxyphenyl]ethanol?
The InChIKey is ORNNRHDGHJKCSR-ORAHPGNNSA-N. The full InChI is InChI=1S/C13H18O3/c1-4-5-8-16-13-9-11(15-3)6-7-12(13)10(2)14/h4-7,9-10,14H,8H2,1-3H3/b5-4+/t10-/m1/s1.
What are the key properties of (1R)-1-[2-[(E)-but-2-enoxy]-4-methoxyphenyl]ethanol?
(1R)-1-[2-[(E)-but-2-enoxy]-4-methoxyphenyl]ethanol has a molecular weight of 222.28 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(E)-but-2-enoxy]-4-methoxyphenyl]ethanol is sourced from PubChem (CID 82001259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).