(2R,3S)-3-methyl-2-(2,4,6-trimethylphenyl)pent-4-en-2-ol

C15H22O — CID 11172007

IUPAC(2R,3S)-3-methyl-2-(2,4,6-trimethylphenyl)pent-4-en-2-ol
SMILESC=C[C@H](C)[C@@](C)(O)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H22O/c1-7-13(5)15(6,16)14-11(3)8-10(2)9-12(14)4/h7-9,13,16H,1H2,2-6H3/t13-,15+/m0/s1
InChIKeyYFXUBNSDSRQTJI-DZGCQCFKSA-N
MW218.34 g/mol
LogP3.64
Rot. Bonds3

About (2R,3S)-3-methyl-2-(2,4,6-trimethylphenyl)pent-4-en-2-ol

(2R,3S)-3-methyl-2-(2,4,6-trimethylphenyl)pent-4-en-2-ol (PubChem CID 11172007) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (2R,3S)-3-methyl-2-(2,4,6-trimethylphenyl)pent-4-en-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-methyl-2-(2,4,6-trimethylphenyl)pent-4-en-2-ol
PubChem CID11172007
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(2R,3S)-3-methyl-2-(2,4,6-trimethylphenyl)pent-4-en-2-ol
SMILESC=C[C@H](C)[C@@](C)(O)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H22O/c1-7-13(5)15(6,16)14-11(3)8-10(2)9-12(14)4/h7-9,13,16H,1H2,2-6H3/t13-,15+/m0/s1
InChIKeyYFXUBNSDSRQTJI-DZGCQCFKSA-N
XLogP3.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.64
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

3-methyl-2-(2,4,6-trimethylphenyl)butan-2-ol
CID 91656437
methyl 3-hydroxy-2-propan-2-yl-3-(2,4,6-trimethylphenyl)butanoate
CID 62395638
2-[(2R,3R)-2-hydroxy-3-methylpent-4-en-2-yl]phenol
CID 14939211
2-(2-hydroxypropan-2-yl)-3,5-dimethylphenol
CID 117278445
2-(2,4,6-trimethylphenyl)butan-2-ol
CID 91656781
1,1-difluoro-1-(2,4,6-trimethylphenyl)propan-2-amine
CID 116839258
2-(2,4,6-trimethylphenyl)but-3-en-1-ol
CID 130129687
1-(2,4,6-trimethylphenyl)prop-2-en-1-amine
CID 55282598
bis[2-(2,4,6-trimethylphenyl)propan-2-yl]diazene
CID 10247336
1-cyclopropyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol
CID 106880260
(2S)-2-amino-2-(2,4,6-trimethylphenyl)propanenitrile
CID 30115564
ethyl 2-(propan-2-ylamino)-2-(2,4,6-trimethylphenyl)propanoate
CID 60787163

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-methyl-2-(2,4,6-trimethylphenyl)pent-4-en-2-ol?
The IUPAC name of (2R,3S)-3-methyl-2-(2,4,6-trimethylphenyl)pent-4-en-2-ol (CID 11172007) is (2R,3S)-3-methyl-2-(2,4,6-trimethylphenyl)pent-4-en-2-ol.
What is the SMILES notation for (2R,3S)-3-methyl-2-(2,4,6-trimethylphenyl)pent-4-en-2-ol?
The canonical SMILES for (2R,3S)-3-methyl-2-(2,4,6-trimethylphenyl)pent-4-en-2-ol is C=C[C@H](C)[C@@](C)(O)c1c(C)cc(C)cc1C.
What is the InChIKey of (2R,3S)-3-methyl-2-(2,4,6-trimethylphenyl)pent-4-en-2-ol?
The InChIKey is YFXUBNSDSRQTJI-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H22O/c1-7-13(5)15(6,16)14-11(3)8-10(2)9-12(14)4/h7-9,13,16H,1H2,2-6H3/t13-,15+/m0/s1.
What are the key properties of (2R,3S)-3-methyl-2-(2,4,6-trimethylphenyl)pent-4-en-2-ol?
(2R,3S)-3-methyl-2-(2,4,6-trimethylphenyl)pent-4-en-2-ol has a molecular weight of 218.34 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-methyl-2-(2,4,6-trimethylphenyl)pent-4-en-2-ol is sourced from PubChem (CID 11172007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).