5-methyl-3-phenylhex-5-ene-1,3-diol

C13H18O2 — CID 90346624

IUPAC5-methyl-3-phenylhex-5-ene-1,3-diol
SMILESC=C(C)CC(O)(CCO)c1ccccc1
InChIInChI=1S/C13H18O2/c1-11(2)10-13(15,8-9-14)12-6-4-3-5-7-12/h3-7,14-15H,1,8-10H2,2H3
InChIKeyYAARJUPOJOLSQI-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.22
Rot. Bonds5

About 5-methyl-3-phenylhex-5-ene-1,3-diol

5-methyl-3-phenylhex-5-ene-1,3-diol (PubChem CID 90346624) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 5-methyl-3-phenylhex-5-ene-1,3-diol.

Molecular Properties

Compound Name5-methyl-3-phenylhex-5-ene-1,3-diol
PubChem CID90346624
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name5-methyl-3-phenylhex-5-ene-1,3-diol
SMILESC=C(C)CC(O)(CCO)c1ccccc1
InChIInChI=1S/C13H18O2/c1-11(2)10-13(15,8-9-14)12-6-4-3-5-7-12/h3-7,14-15H,1,8-10H2,2H3
InChIKeyYAARJUPOJOLSQI-UHFFFAOYSA-N
XLogP2.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

3-hydroxy-N,N,5-trimethyl-3-phenylhex-5-enamide
CID 102147657
3-hydroxy-5-methyl-3-phenylhex-5-en-2-one
CID 11769614
3,4-dimethyl-3,4-diphenylhexane-1,6-diol
CID 102025625
3-methyl-3-phenylpentane-1,5-diol
CID 3019682
4,4-dimethyl-3-phenylpentane-1,3-diol
CID 135018843
2,4-dimethyl-2-phenylpent-4-enoic acid
CID 69253057
3,5-dimethyl-3-phenylhex-5-en-2-one
CID 59318271
3-tritylpentane-1,3,5-triol
CID 139808221
2-methyl-3-phenylhex-1-en-3-ol
CID 79189564
(3R)-3,5-dimethylhex-5-ene-1,3-diol
CID 14831815
5-methylidene-3-phenylhept-6-en-3-ol
CID 90476881
10-phenylnonadecane-1,10-diol
CID 159665017

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenylhex-5-ene-1,3-diol?
The IUPAC name of 5-methyl-3-phenylhex-5-ene-1,3-diol (CID 90346624) is 5-methyl-3-phenylhex-5-ene-1,3-diol.
What is the SMILES notation for 5-methyl-3-phenylhex-5-ene-1,3-diol?
The canonical SMILES for 5-methyl-3-phenylhex-5-ene-1,3-diol is C=C(C)CC(O)(CCO)c1ccccc1.
What is the InChIKey of 5-methyl-3-phenylhex-5-ene-1,3-diol?
The InChIKey is YAARJUPOJOLSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-11(2)10-13(15,8-9-14)12-6-4-3-5-7-12/h3-7,14-15H,1,8-10H2,2H3.
What are the key properties of 5-methyl-3-phenylhex-5-ene-1,3-diol?
5-methyl-3-phenylhex-5-ene-1,3-diol has a molecular weight of 206.28 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenylhex-5-ene-1,3-diol is sourced from PubChem (CID 90346624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).