(2R,3R)-3-methyl-5-phenyl-2-prop-1-en-2-ylpentane-1,3-diol

C15H22O2 — CID 146167567

IUPAC(2R,3R)-3-methyl-5-phenyl-2-prop-1-en-2-ylpentane-1,3-diol
SMILESC=C(C)[C@H](CO)[C@](C)(O)CCc1ccccc1
InChIInChI=1S/C15H22O2/c1-12(2)14(11-16)15(3,17)10-9-13-7-5-4-6-8-13/h4-8,14,16-17H,1,9-11H2,2-3H3/t14-,15+/m0/s1
InChIKeyDUNPEMOLHZPQIX-LSDHHAIUSA-N
MW234.34 g/mol
LogP2.55
Rot. Bonds6

About (2R,3R)-3-methyl-5-phenyl-2-prop-1-en-2-ylpentane-1,3-diol

(2R,3R)-3-methyl-5-phenyl-2-prop-1-en-2-ylpentane-1,3-diol (PubChem CID 146167567) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (2R,3R)-3-methyl-5-phenyl-2-prop-1-en-2-ylpentane-1,3-diol.

Molecular Properties

Compound Name(2R,3R)-3-methyl-5-phenyl-2-prop-1-en-2-ylpentane-1,3-diol
PubChem CID146167567
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(2R,3R)-3-methyl-5-phenyl-2-prop-1-en-2-ylpentane-1,3-diol
SMILESC=C(C)[C@H](CO)[C@](C)(O)CCc1ccccc1
InChIInChI=1S/C15H22O2/c1-12(2)14(11-16)15(3,17)10-9-13-7-5-4-6-8-13/h4-8,14,16-17H,1,9-11H2,2-3H3/t14-,15+/m0/s1
InChIKeyDUNPEMOLHZPQIX-LSDHHAIUSA-N
XLogP2.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4,4,5-tetramethyl-1-phenylhex-5-en-3-ol
CID 101413425
2-methyl-1,4-diphenylbutan-2-ol
CID 103642101
2,2-dimethyl-4-phenylbutan-1-ol
CID 59141048
3,5-dimethyl-1-phenylhexan-3-ol
CID 12643765
2-(2-phenylethyl)propane-1,2,3-triol
CID 67654093
4-hydroxy-4-methyl-6-phenylhexan-2-one
CID 101034765
2,2-dihydroxy-4-phenylbutanoic acid
CID 54448569
2-methyl-N-(3-methylbut-3-enyl)-4-phenylbutan-2-amine
CID 114448948
2-methyl-4-[4-(4-phenylbutyl)phenyl]-N-prop-1-en-2-ylbutan-2-amine
CID 142171230
3-[(2-methyl-4-phenylbutan-2-yl)amino]propane-1,2-diol
CID 12855751
2-hydroxy-2-methyl-4-phenylbutanal
CID 10241365
3-methylpentan-3-ol;2-methyl-4-phenylbutan-2-ol
CID 69277375

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methyl-5-phenyl-2-prop-1-en-2-ylpentane-1,3-diol?
The IUPAC name of (2R,3R)-3-methyl-5-phenyl-2-prop-1-en-2-ylpentane-1,3-diol (CID 146167567) is (2R,3R)-3-methyl-5-phenyl-2-prop-1-en-2-ylpentane-1,3-diol.
What is the SMILES notation for (2R,3R)-3-methyl-5-phenyl-2-prop-1-en-2-ylpentane-1,3-diol?
The canonical SMILES for (2R,3R)-3-methyl-5-phenyl-2-prop-1-en-2-ylpentane-1,3-diol is C=C(C)[C@H](CO)[C@](C)(O)CCc1ccccc1.
What is the InChIKey of (2R,3R)-3-methyl-5-phenyl-2-prop-1-en-2-ylpentane-1,3-diol?
The InChIKey is DUNPEMOLHZPQIX-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H22O2/c1-12(2)14(11-16)15(3,17)10-9-13-7-5-4-6-8-13/h4-8,14,16-17H,1,9-11H2,2-3H3/t14-,15+/m0/s1.
What are the key properties of (2R,3R)-3-methyl-5-phenyl-2-prop-1-en-2-ylpentane-1,3-diol?
(2R,3R)-3-methyl-5-phenyl-2-prop-1-en-2-ylpentane-1,3-diol has a molecular weight of 234.34 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methyl-5-phenyl-2-prop-1-en-2-ylpentane-1,3-diol is sourced from PubChem (CID 146167567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).