(1R)-1-(3,5-dimethylphenyl)-2-methylprop-2-en-1-ol

C12H16O — CID 124511678

IUPAC(1R)-1-(3,5-dimethylphenyl)-2-methylprop-2-en-1-ol
SMILESC=C(C)[C@@H](O)c1cc(C)cc(C)c1
InChIInChI=1S/C12H16O/c1-8(2)12(13)11-6-9(3)5-10(4)7-11/h5-7,12-13H,1H2,2-4H3/t12-/m1/s1
InChIKeyFVCAWGRLVQENTK-GFCCVEGCSA-N
MW176.26 g/mol
LogP2.91
Rot. Bonds2

About (1R)-1-(3,5-dimethylphenyl)-2-methylprop-2-en-1-ol

(1R)-1-(3,5-dimethylphenyl)-2-methylprop-2-en-1-ol (PubChem CID 124511678) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (1R)-1-(3,5-dimethylphenyl)-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name(1R)-1-(3,5-dimethylphenyl)-2-methylprop-2-en-1-ol
PubChem CID124511678
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(1R)-1-(3,5-dimethylphenyl)-2-methylprop-2-en-1-ol
SMILESC=C(C)[C@@H](O)c1cc(C)cc(C)c1
InChIInChI=1S/C12H16O/c1-8(2)12(13)11-6-9(3)5-10(4)7-11/h5-7,12-13H,1H2,2-4H3/t12-/m1/s1
InChIKeyFVCAWGRLVQENTK-GFCCVEGCSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(5-methyl-3-pyridinyl)prop-2-en-1-ol
CID 105110452
(2R)-2-(3,5-dimethylphenyl)-2-hydroxyacetic acid
CID 57035958
1-(3,5-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005125
(1R,2S)-1,2-bis(3,5-dimethylphenyl)ethane-1,2-diol
CID 102316400
[(3,5-dimethylphenyl)-hydroxymethyl] 2-methylprop-2-enoate
CID 178023104
tetrakis((3,5-dimethylphenyl)methanediol);titanium;dihydrate
CID 168793686
[3-(dihydroxymethyl)-5-methylphenyl]methanediol
CID 20583677
(1R)-1-(3,5-dimethylphenyl)-3-methylbut-3-en-1-amine
CID 131096191
1-(5-bromofuran-3-yl)-2-methylprop-2-en-1-ol
CID 130748377
1-[3-(difluoromethyl)phenyl]-2-methylprop-2-en-1-ol
CID 115527715
amino-(3-amino-5-methylphenyl)methanol
CID 57041170
(1R,2R)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol
CID 130921857

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,5-dimethylphenyl)-2-methylprop-2-en-1-ol?
The IUPAC name of (1R)-1-(3,5-dimethylphenyl)-2-methylprop-2-en-1-ol (CID 124511678) is (1R)-1-(3,5-dimethylphenyl)-2-methylprop-2-en-1-ol.
What is the SMILES notation for (1R)-1-(3,5-dimethylphenyl)-2-methylprop-2-en-1-ol?
The canonical SMILES for (1R)-1-(3,5-dimethylphenyl)-2-methylprop-2-en-1-ol is C=C(C)[C@@H](O)c1cc(C)cc(C)c1.
What is the InChIKey of (1R)-1-(3,5-dimethylphenyl)-2-methylprop-2-en-1-ol?
The InChIKey is FVCAWGRLVQENTK-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16O/c1-8(2)12(13)11-6-9(3)5-10(4)7-11/h5-7,12-13H,1H2,2-4H3/t12-/m1/s1.
What are the key properties of (1R)-1-(3,5-dimethylphenyl)-2-methylprop-2-en-1-ol?
(1R)-1-(3,5-dimethylphenyl)-2-methylprop-2-en-1-ol has a molecular weight of 176.26 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,5-dimethylphenyl)-2-methylprop-2-en-1-ol is sourced from PubChem (CID 124511678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).