(E,2S,3S)-2-methyl-5-phenylpent-4-ene-1,3-diol

C12H16O2 — CID 59408282

IUPAC(E,2S,3S)-2-methyl-5-phenylpent-4-ene-1,3-diol
SMILESC[C@@H](CO)[C@@H](O)/C=C/c1ccccc1
InChIInChI=1S/C12H16O2/c1-10(9-13)12(14)8-7-11-5-3-2-4-6-11/h2-8,10,12-14H,9H2,1H3/b8-7+/t10-,12-/m0/s1
InChIKeyJNFCGBNYOJIKHB-HUAGXHDJSA-N
MW192.26 g/mol
LogP1.69
Rot. Bonds4

About (E,2S,3S)-2-methyl-5-phenylpent-4-ene-1,3-diol

(E,2S,3S)-2-methyl-5-phenylpent-4-ene-1,3-diol (PubChem CID 59408282) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (E,2S,3S)-2-methyl-5-phenylpent-4-ene-1,3-diol.

Molecular Properties

Compound Name(E,2S,3S)-2-methyl-5-phenylpent-4-ene-1,3-diol
PubChem CID59408282
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(E,2S,3S)-2-methyl-5-phenylpent-4-ene-1,3-diol
SMILESC[C@@H](CO)[C@@H](O)/C=C/c1ccccc1
InChIInChI=1S/C12H16O2/c1-10(9-13)12(14)8-7-11-5-3-2-4-6-11/h2-8,10,12-14H,9H2,1H3/b8-7+/t10-,12-/m0/s1
InChIKeyJNFCGBNYOJIKHB-HUAGXHDJSA-N
XLogP1.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E,2S,3S)-2-methyl-5-phenylpent-4-ene-1,3-diol?
The IUPAC name of (E,2S,3S)-2-methyl-5-phenylpent-4-ene-1,3-diol (CID 59408282) is (E,2S,3S)-2-methyl-5-phenylpent-4-ene-1,3-diol.
What is the SMILES notation for (E,2S,3S)-2-methyl-5-phenylpent-4-ene-1,3-diol?
The canonical SMILES for (E,2S,3S)-2-methyl-5-phenylpent-4-ene-1,3-diol is C[C@@H](CO)[C@@H](O)/C=C/c1ccccc1.
What is the InChIKey of (E,2S,3S)-2-methyl-5-phenylpent-4-ene-1,3-diol?
The InChIKey is JNFCGBNYOJIKHB-HUAGXHDJSA-N. The full InChI is InChI=1S/C12H16O2/c1-10(9-13)12(14)8-7-11-5-3-2-4-6-11/h2-8,10,12-14H,9H2,1H3/b8-7+/t10-,12-/m0/s1.
What are the key properties of (E,2S,3S)-2-methyl-5-phenylpent-4-ene-1,3-diol?
(E,2S,3S)-2-methyl-5-phenylpent-4-ene-1,3-diol has a molecular weight of 192.26 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3S)-2-methyl-5-phenylpent-4-ene-1,3-diol is sourced from PubChem (CID 59408282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).