(3R,4R)-2,3-dimethyl-4-phenylpent-1-en-3-ol

C13H18O — CID 10261932

IUPAC(3R,4R)-2,3-dimethyl-4-phenylpent-1-en-3-ol
SMILESC=C(C)[C@](C)(O)[C@H](C)c1ccccc1
InChIInChI=1S/C13H18O/c1-10(2)13(4,14)11(3)12-8-6-5-7-9-12/h5-9,11,14H,1H2,2-4H3/t11-,13+/m1/s1
InChIKeyGXFBFTIEQQCNRZ-YPMHNXCESA-N
MW190.29 g/mol
LogP3.12
Rot. Bonds3

About (3R,4R)-2,3-dimethyl-4-phenylpent-1-en-3-ol

(3R,4R)-2,3-dimethyl-4-phenylpent-1-en-3-ol (PubChem CID 10261932) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (3R,4R)-2,3-dimethyl-4-phenylpent-1-en-3-ol.

Molecular Properties

Compound Name(3R,4R)-2,3-dimethyl-4-phenylpent-1-en-3-ol
PubChem CID10261932
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(3R,4R)-2,3-dimethyl-4-phenylpent-1-en-3-ol
SMILESC=C(C)[C@](C)(O)[C@H](C)c1ccccc1
InChIInChI=1S/C13H18O/c1-10(2)13(4,14)11(3)12-8-6-5-7-9-12/h5-9,11,14H,1H2,2-4H3/t11-,13+/m1/s1
InChIKeyGXFBFTIEQQCNRZ-YPMHNXCESA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.12
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

(1S,2R)-2,3-dimethyl-1-phenylbut-3-ene-1,2-diol
CID 101475003
2-hydroxy-N-[2-[(2-hydroxy-2-methyl-3-phenylbutanoyl)-methylamino]ethyl]-N,2-dimethyl-3-phenylbutanamide
CID 167773618
2-amino-3-phenylbutan-2-ol
CID 68615274
(2S)-2-methyl-2-[(1S)-1-phenylethyl]but-3-enoic acid
CID 101139802
2-methylpropan-2-ol;1-phenylethanol
CID 160949043
1,1-dimethoxy-2-phenylpropan-1-ol
CID 102056743
2,3-dimethyl-4-phenylpentane-1,3-diol
CID 141303157
(2R)-3-methyl-2-phenylbut-3-en-2-ol
CID 102163421
2,3-dimethylbutane-2,3-diol;1-phenylethanol
CID 67631199
2-ethyl-2-hydroxy-3-phenylbutanoic acid
CID 79303573
2,2,3-triphenylbutane-1,1,1-triol
CID 19424795
[(2R)-1,1,1-trifluoro-3-methylbut-3-en-2-yl]benzene
CID 162576460

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2,3-dimethyl-4-phenylpent-1-en-3-ol?
The IUPAC name of (3R,4R)-2,3-dimethyl-4-phenylpent-1-en-3-ol (CID 10261932) is (3R,4R)-2,3-dimethyl-4-phenylpent-1-en-3-ol.
What is the SMILES notation for (3R,4R)-2,3-dimethyl-4-phenylpent-1-en-3-ol?
The canonical SMILES for (3R,4R)-2,3-dimethyl-4-phenylpent-1-en-3-ol is C=C(C)[C@](C)(O)[C@H](C)c1ccccc1.
What is the InChIKey of (3R,4R)-2,3-dimethyl-4-phenylpent-1-en-3-ol?
The InChIKey is GXFBFTIEQQCNRZ-YPMHNXCESA-N. The full InChI is InChI=1S/C13H18O/c1-10(2)13(4,14)11(3)12-8-6-5-7-9-12/h5-9,11,14H,1H2,2-4H3/t11-,13+/m1/s1.
What are the key properties of (3R,4R)-2,3-dimethyl-4-phenylpent-1-en-3-ol?
(3R,4R)-2,3-dimethyl-4-phenylpent-1-en-3-ol has a molecular weight of 190.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2,3-dimethyl-4-phenylpent-1-en-3-ol is sourced from PubChem (CID 10261932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).