(Z)-3-methyl-5-phenylhex-2-ene-1,5-diol

C13H18O2 — CID 10856650

IUPAC(Z)-3-methyl-5-phenylhex-2-ene-1,5-diol
SMILESC/C(=C/CO)CC(C)(O)c1ccccc1
InChIInChI=1S/C13H18O2/c1-11(8-9-14)10-13(2,15)12-6-4-3-5-7-12/h3-8,14-15H,9-10H2,1-2H3/b11-8-
InChIKeyXJTUOZDMWVUARQ-FLIBITNWSA-N
MW206.28 g/mol
LogP2.22
Rot. Bonds4

About (Z)-3-methyl-5-phenylhex-2-ene-1,5-diol

(Z)-3-methyl-5-phenylhex-2-ene-1,5-diol (PubChem CID 10856650) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (Z)-3-methyl-5-phenylhex-2-ene-1,5-diol.

Molecular Properties

Compound Name(Z)-3-methyl-5-phenylhex-2-ene-1,5-diol
PubChem CID10856650
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(Z)-3-methyl-5-phenylhex-2-ene-1,5-diol
SMILESC/C(=C/CO)CC(C)(O)c1ccccc1
InChIInChI=1S/C13H18O2/c1-11(8-9-14)10-13(2,15)12-6-4-3-5-7-12/h3-8,14-15H,9-10H2,1-2H3/b11-8-
InChIKeyXJTUOZDMWVUARQ-FLIBITNWSA-N
XLogP2.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.22
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

(E)-4-methyl-5-methylsulfanyl-2-phenylpent-4-en-2-ol
CID 5363668
(Z)-2-methyl-5-phenylhex-2-ene-1,5-diol
CID 101161095
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
(Z)-3-tris(2-methyl-2-phenylpropyl)stannylbut-2-en-1-ol
CID 177408312
2-phenyl-4-trimethylstannylpent-4-en-2-ol
CID 14290604
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 46192380
1-amino-2-phenylpropan-2-ol;hydrochloride
CID 17039439
1-methylsulfinyl-2-phenylpropan-2-ol
CID 15013398
N-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-3-phenylbutanamide
CID 110026341
1-(3-hydroxypropylsulfanyl)-2-phenylpropan-2-ol
CID 66128083
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol
CID 135030069

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-5-phenylhex-2-ene-1,5-diol?
The IUPAC name of (Z)-3-methyl-5-phenylhex-2-ene-1,5-diol (CID 10856650) is (Z)-3-methyl-5-phenylhex-2-ene-1,5-diol.
What is the SMILES notation for (Z)-3-methyl-5-phenylhex-2-ene-1,5-diol?
The canonical SMILES for (Z)-3-methyl-5-phenylhex-2-ene-1,5-diol is C/C(=C/CO)CC(C)(O)c1ccccc1.
What is the InChIKey of (Z)-3-methyl-5-phenylhex-2-ene-1,5-diol?
The InChIKey is XJTUOZDMWVUARQ-FLIBITNWSA-N. The full InChI is InChI=1S/C13H18O2/c1-11(8-9-14)10-13(2,15)12-6-4-3-5-7-12/h3-8,14-15H,9-10H2,1-2H3/b11-8-.
What are the key properties of (Z)-3-methyl-5-phenylhex-2-ene-1,5-diol?
(Z)-3-methyl-5-phenylhex-2-ene-1,5-diol has a molecular weight of 206.28 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-5-phenylhex-2-ene-1,5-diol is sourced from PubChem (CID 10856650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).