(2R)-2-(2-methoxyphenyl)but-3-en-2-ol

C11H14O2 — CID 124509510

IUPAC(2R)-2-(2-methoxyphenyl)but-3-en-2-ol
SMILESC=C[C@@](C)(O)c1ccccc1OC
InChIInChI=1S/C11H14O2/c1-4-11(2,12)9-7-5-6-8-10(9)13-3/h4-8,12H,1H2,2-3H3/t11-/m1/s1
InChIKeyYBNVGKIHROTXQF-LLVKDONJSA-N
MW178.23 g/mol
LogP2.09
Rot. Bonds3

About (2R)-2-(2-methoxyphenyl)but-3-en-2-ol

(2R)-2-(2-methoxyphenyl)but-3-en-2-ol (PubChem CID 124509510) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (2R)-2-(2-methoxyphenyl)but-3-en-2-ol.

Molecular Properties

Compound Name(2R)-2-(2-methoxyphenyl)but-3-en-2-ol
PubChem CID124509510
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(2R)-2-(2-methoxyphenyl)but-3-en-2-ol
SMILESC=C[C@@](C)(O)c1ccccc1OC
InChIInChI=1S/C11H14O2/c1-4-11(2,12)9-7-5-6-8-10(9)13-3/h4-8,12H,1H2,2-3H3/t11-/m1/s1
InChIKeyYBNVGKIHROTXQF-LLVKDONJSA-N
XLogP2.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
2-(2-hydroxybut-3-en-2-yl)phenol
CID 13380598
(2S)-2-(2-chlorophenyl)but-3-en-2-ol
CID 46918958
3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol
CID 606344
1-(2,6-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 116809641
(2S)-2-(2-methoxyphenyl)butan-2-ol
CID 93303591
(3R)-3-hydroxy-3-(2-methoxyphenyl)butan-2-one
CID 102236965
1-(4-tert-butylphenyl)-1-(2-methoxyphenyl)ethanol
CID 62549935
2-(2-methoxyphenyl)-4-methylpent-4-en-2-ol
CID 71722424
1-methoxy-2-(2-methoxypropan-2-yl)benzene
CID 58091763
(2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol
CID 7707238
3-(2-methoxyphenyl)penta-1,4-diyn-3-ol
CID 11056360

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxyphenyl)but-3-en-2-ol?
The IUPAC name of (2R)-2-(2-methoxyphenyl)but-3-en-2-ol (CID 124509510) is (2R)-2-(2-methoxyphenyl)but-3-en-2-ol.
What is the SMILES notation for (2R)-2-(2-methoxyphenyl)but-3-en-2-ol?
The canonical SMILES for (2R)-2-(2-methoxyphenyl)but-3-en-2-ol is C=C[C@@](C)(O)c1ccccc1OC.
What is the InChIKey of (2R)-2-(2-methoxyphenyl)but-3-en-2-ol?
The InChIKey is YBNVGKIHROTXQF-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14O2/c1-4-11(2,12)9-7-5-6-8-10(9)13-3/h4-8,12H,1H2,2-3H3/t11-/m1/s1.
What are the key properties of (2R)-2-(2-methoxyphenyl)but-3-en-2-ol?
(2R)-2-(2-methoxyphenyl)but-3-en-2-ol has a molecular weight of 178.23 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methoxyphenyl)but-3-en-2-ol is sourced from PubChem (CID 124509510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).