(2S,3E)-2-phenylmethoxyhexa-3,5-dien-1-ol

C13H16O2 — CID 101050867

IUPAC(2S,3E)-2-phenylmethoxyhexa-3,5-dien-1-ol
SMILESC=C/C=C/[C@@H](CO)OCc1ccccc1
InChIInChI=1S/C13H16O2/c1-2-3-9-13(10-14)15-11-12-7-5-4-6-8-12/h2-9,13-14H,1,10-11H2/b9-3+/t13-/m0/s1
InChIKeyOZOFZHVKOXBLFD-FOWFJEMPSA-N
MW204.27 g/mol
LogP2.31
Rot. Bonds6

About (2S,3E)-2-phenylmethoxyhexa-3,5-dien-1-ol

(2S,3E)-2-phenylmethoxyhexa-3,5-dien-1-ol (PubChem CID 101050867) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2S,3E)-2-phenylmethoxyhexa-3,5-dien-1-ol.

Molecular Properties

Compound Name(2S,3E)-2-phenylmethoxyhexa-3,5-dien-1-ol
PubChem CID101050867
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(2S,3E)-2-phenylmethoxyhexa-3,5-dien-1-ol
SMILESC=C/C=C/[C@@H](CO)OCc1ccccc1
InChIInChI=1S/C13H16O2/c1-2-3-9-13(10-14)15-11-12-7-5-4-6-8-12/h2-9,13-14H,1,10-11H2/b9-3+/t13-/m0/s1
InChIKeyOZOFZHVKOXBLFD-FOWFJEMPSA-N
XLogP2.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-2-phenylmethoxyhexa-3,5-dien-1-ol
CID 151048584
4-phenylmethoxyhex-5-en-1-ol
CID 25098808
(2S,3S,4R,5E)-2,3,4-tris(phenylmethoxy)octa-5,7-dienal
CID 101049962
[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
3-phenylmethoxyhex-4-en-1-ol
CID 71334809
penta-1,4-dien-3-yloxymethylbenzene
CID 102250646
methyl (2R,3S,4R,5E)-2,3,4-tris(phenylmethoxy)octa-5,7-dienoate
CID 23244262
(2E,6E)-4,5-bis(phenylmethoxy)octa-2,6-diene-1,8-diol
CID 6393557
1-phenylmethoxyethanol;propane-1,2,3-triol
CID 157415371
2-phenylmethoxy-3-(2-phenylmethoxy-3-prop-2-enoxypropoxy)propan-1-ol
CID 171850384
(2S)-3-phenyl-2-phenylmethoxypropan-1-ol
CID 11831604
(2S,3R,4R,5S)-3,4-bis(phenylmethoxy)hexane-1,2,5,6-tetrol
CID 10893804

Frequently Asked Questions

What is the IUPAC name of (2S,3E)-2-phenylmethoxyhexa-3,5-dien-1-ol?
The IUPAC name of (2S,3E)-2-phenylmethoxyhexa-3,5-dien-1-ol (CID 101050867) is (2S,3E)-2-phenylmethoxyhexa-3,5-dien-1-ol.
What is the SMILES notation for (2S,3E)-2-phenylmethoxyhexa-3,5-dien-1-ol?
The canonical SMILES for (2S,3E)-2-phenylmethoxyhexa-3,5-dien-1-ol is C=C/C=C/[C@@H](CO)OCc1ccccc1.
What is the InChIKey of (2S,3E)-2-phenylmethoxyhexa-3,5-dien-1-ol?
The InChIKey is OZOFZHVKOXBLFD-FOWFJEMPSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-3-9-13(10-14)15-11-12-7-5-4-6-8-12/h2-9,13-14H,1,10-11H2/b9-3+/t13-/m0/s1.
What are the key properties of (2S,3E)-2-phenylmethoxyhexa-3,5-dien-1-ol?
(2S,3E)-2-phenylmethoxyhexa-3,5-dien-1-ol has a molecular weight of 204.27 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3E)-2-phenylmethoxyhexa-3,5-dien-1-ol is sourced from PubChem (CID 101050867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).