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

C12H16O2 — CID 89050087

IUPAC(E)-2-methyl-5-phenylpent-4-ene-1,3-diol
SMILESCC(CO)C(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+
InChIKeyJNFCGBNYOJIKHB-BQYQJAHWSA-N
MW192.26 g/mol
LogP1.69
Rot. Bonds4

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

(E)-2-methyl-5-phenylpent-4-ene-1,3-diol (PubChem CID 89050087) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (E)-2-methyl-5-phenylpent-4-ene-1,3-diol.

Molecular Properties

Compound Name(E)-2-methyl-5-phenylpent-4-ene-1,3-diol
PubChem CID89050087
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(E)-2-methyl-5-phenylpent-4-ene-1,3-diol
SMILESCC(CO)C(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+
InChIKeyJNFCGBNYOJIKHB-BQYQJAHWSA-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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Related Compounds

(E,2R,3R,4S)-6-phenylhex-5-ene-1,2,3,4-tetrol
CID 71511914
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
(E,2S)-1,1,1-tribromo-4-phenylbut-3-en-2-ol
CID 129409004
propane-1,2-diol;prop-1-enylbenzene
CID 161072622
N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]acetamide
CID 10752241
(E,4R,5S)-5-hydroxy-4-methyl-7-phenylhept-6-en-3-one
CID 12031058
(2S)-2-ethyl-4-phenylbut-3-en-1-ol
CID 71353215
(E,3R,4S)-5,5-dimethoxy-4-methyl-1-phenylpent-1-en-3-ol
CID 102022397
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
4-phenyl-2-sulfanylbut-3-en-1-ol
CID 57241408
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
3-phenylprop-2-ene-1,1-diol
CID 54432533

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-5-phenylpent-4-ene-1,3-diol?
The IUPAC name of (E)-2-methyl-5-phenylpent-4-ene-1,3-diol (CID 89050087) is (E)-2-methyl-5-phenylpent-4-ene-1,3-diol.
What is the SMILES notation for (E)-2-methyl-5-phenylpent-4-ene-1,3-diol?
The canonical SMILES for (E)-2-methyl-5-phenylpent-4-ene-1,3-diol is CC(CO)C(O)/C=C/c1ccccc1.
What is the InChIKey of (E)-2-methyl-5-phenylpent-4-ene-1,3-diol?
The InChIKey is JNFCGBNYOJIKHB-BQYQJAHWSA-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+.
What are the key properties of (E)-2-methyl-5-phenylpent-4-ene-1,3-diol?
(E)-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)-2-methyl-5-phenylpent-4-ene-1,3-diol is sourced from PubChem (CID 89050087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).