(2S)-2-(3,5-dimethoxyphenyl)but-3-en-1-ol

C12H16O3 — CID 177484967

IUPAC(2S)-2-(3,5-dimethoxyphenyl)but-3-en-1-ol
SMILESC=C[C@H](CO)c1cc(OC)cc(OC)c1
InChIInChI=1S/C12H16O3/c1-4-9(8-13)10-5-11(14-2)7-12(6-10)15-3/h4-7,9,13H,1,8H2,2-3H3/t9-/m1/s1
InChIKeyOBHYIKOIZQKAEQ-SECBINFHSA-N
MW208.26 g/mol
LogP1.97
Rot. Bonds5

About (2S)-2-(3,5-dimethoxyphenyl)but-3-en-1-ol

(2S)-2-(3,5-dimethoxyphenyl)but-3-en-1-ol (PubChem CID 177484967) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethoxyphenyl)but-3-en-1-ol.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethoxyphenyl)but-3-en-1-ol
PubChem CID177484967
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(2S)-2-(3,5-dimethoxyphenyl)but-3-en-1-ol
SMILESC=C[C@H](CO)c1cc(OC)cc(OC)c1
InChIInChI=1S/C12H16O3/c1-4-9(8-13)10-5-11(14-2)7-12(6-10)15-3/h4-7,9,13H,1,8H2,2-3H3/t9-/m1/s1
InChIKeyOBHYIKOIZQKAEQ-SECBINFHSA-N
XLogP1.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.97
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

1-(3,5-dimethoxyphenyl)propan-1-ol
CID 42957590
1-(3,5-dimethoxyphenyl)-2-methoxyethanol
CID 79567115
(2S)-2-(3,5-dimethoxyphenyl)-2-hydroxyacetonitrile
CID 94842584
1-(3-amino-5-methoxyphenyl)propane-1,2,3-triol
CID 170817963
(2S)-2-(3-fluoro-5-methoxyphenyl)propan-1-ol
CID 137495631
1-[(3,5-dimethoxyphenyl)-methoxymethyl]-3,5-dimethoxybenzene
CID 126607837
1-(3,5-dimethoxyphenyl)-2-methylprop-2-en-1-amine
CID 105005540
3-(3,5-dimethoxyphenyl)but-2-en-1-ol
CID 54436629
phosphane;1,3,5-trimethoxybenzene
CID 175232895
2-[(3R)-3-(3-methoxyphenyl)pent-4-enyl]-1,3-dioxolane
CID 134952605
1-(3,5-dimethoxyphenyl)-3-methylidenepentan-1-ol
CID 115817579
(3R)-3-amino-3-(3,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol
CID 171239433

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethoxyphenyl)but-3-en-1-ol?
The IUPAC name of (2S)-2-(3,5-dimethoxyphenyl)but-3-en-1-ol (CID 177484967) is (2S)-2-(3,5-dimethoxyphenyl)but-3-en-1-ol.
What is the SMILES notation for (2S)-2-(3,5-dimethoxyphenyl)but-3-en-1-ol?
The canonical SMILES for (2S)-2-(3,5-dimethoxyphenyl)but-3-en-1-ol is C=C[C@H](CO)c1cc(OC)cc(OC)c1.
What is the InChIKey of (2S)-2-(3,5-dimethoxyphenyl)but-3-en-1-ol?
The InChIKey is OBHYIKOIZQKAEQ-SECBINFHSA-N. The full InChI is InChI=1S/C12H16O3/c1-4-9(8-13)10-5-11(14-2)7-12(6-10)15-3/h4-7,9,13H,1,8H2,2-3H3/t9-/m1/s1.
What are the key properties of (2S)-2-(3,5-dimethoxyphenyl)but-3-en-1-ol?
(2S)-2-(3,5-dimethoxyphenyl)but-3-en-1-ol has a molecular weight of 208.26 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethoxyphenyl)but-3-en-1-ol is sourced from PubChem (CID 177484967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).