(1R)-1-(4-methoxy-3-methylphenyl)but-3-en-1-ol

C12H16O2 — CID 96823282

IUPAC(1R)-1-(4-methoxy-3-methylphenyl)but-3-en-1-ol
SMILESC=CC[C@@H](O)c1ccc(OC)c(C)c1
InChIInChI=1S/C12H16O2/c1-4-5-11(13)10-6-7-12(14-3)9(2)8-10/h4,6-8,11,13H,1,5H2,2-3H3/t11-/m1/s1
InChIKeyUKNBBJXZUYLKIU-LLVKDONJSA-N
MW192.26 g/mol
LogP2.61
Rot. Bonds4

About (1R)-1-(4-methoxy-3-methylphenyl)but-3-en-1-ol

(1R)-1-(4-methoxy-3-methylphenyl)but-3-en-1-ol (PubChem CID 96823282) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (1R)-1-(4-methoxy-3-methylphenyl)but-3-en-1-ol.

Molecular Properties

Compound Name(1R)-1-(4-methoxy-3-methylphenyl)but-3-en-1-ol
PubChem CID96823282
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(1R)-1-(4-methoxy-3-methylphenyl)but-3-en-1-ol
SMILESC=CC[C@@H](O)c1ccc(OC)c(C)c1
InChIInChI=1S/C12H16O2/c1-4-5-11(13)10-6-7-12(14-3)9(2)8-10/h4,6-8,11,13H,1,5H2,2-3H3/t11-/m1/s1
InChIKeyUKNBBJXZUYLKIU-LLVKDONJSA-N
XLogP2.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.61
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

(1S)-1-(4-methoxy-3-methylphenyl)butan-1-ol
CID 39239112
1-(4-chloro-3-methylphenyl)but-3-en-1-ol
CID 2757692
2-(4-bromophenyl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 61081846
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
(1R)-1-(3-fluoro-4-methylphenyl)but-3-en-1-ol
CID 26595281
1-(4-methoxy-3-methylphenyl)decan-1-ol
CID 65148116
2-cycloheptyl-1-(4-methoxy-3-methylphenyl)ethanol
CID 114458561
1-(4-methoxy-3-methylphenyl)pent-4-yn-1-ol
CID 63893974
5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanamide
CID 112510105
1-(4-chloro-3,5-dimethylphenyl)but-3-en-1-ol
CID 91655528
(1S)-1-(5-chloro-2-methoxyphenyl)but-3-en-1-ol
CID 97293631
1-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)ethanol
CID 61080511

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methoxy-3-methylphenyl)but-3-en-1-ol?
The IUPAC name of (1R)-1-(4-methoxy-3-methylphenyl)but-3-en-1-ol (CID 96823282) is (1R)-1-(4-methoxy-3-methylphenyl)but-3-en-1-ol.
What is the SMILES notation for (1R)-1-(4-methoxy-3-methylphenyl)but-3-en-1-ol?
The canonical SMILES for (1R)-1-(4-methoxy-3-methylphenyl)but-3-en-1-ol is C=CC[C@@H](O)c1ccc(OC)c(C)c1.
What is the InChIKey of (1R)-1-(4-methoxy-3-methylphenyl)but-3-en-1-ol?
The InChIKey is UKNBBJXZUYLKIU-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16O2/c1-4-5-11(13)10-6-7-12(14-3)9(2)8-10/h4,6-8,11,13H,1,5H2,2-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-(4-methoxy-3-methylphenyl)but-3-en-1-ol?
(1R)-1-(4-methoxy-3-methylphenyl)but-3-en-1-ol has a molecular weight of 192.26 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methoxy-3-methylphenyl)but-3-en-1-ol is sourced from PubChem (CID 96823282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).