(E,5S)-5-methoxy-6-phenylmethoxyhex-2-en-1-ol

C14H20O3 — CID 135076282

IUPAC(E,5S)-5-methoxy-6-phenylmethoxyhex-2-en-1-ol
SMILESCO[C@@H](C/C=C/CO)COCc1ccccc1
InChIInChI=1S/C14H20O3/c1-16-14(9-5-6-10-15)12-17-11-13-7-3-2-4-8-13/h2-8,14-15H,9-12H2,1H3/b6-5+/t14-/m0/s1
InChIKeyYPCJYFRFYGQERM-GJBLVYBDSA-N
MW236.31 g/mol
LogP2.16
Rot. Bonds8

About (E,5S)-5-methoxy-6-phenylmethoxyhex-2-en-1-ol

(E,5S)-5-methoxy-6-phenylmethoxyhex-2-en-1-ol (PubChem CID 135076282) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (E,5S)-5-methoxy-6-phenylmethoxyhex-2-en-1-ol.

Molecular Properties

Compound Name(E,5S)-5-methoxy-6-phenylmethoxyhex-2-en-1-ol
PubChem CID135076282
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(E,5S)-5-methoxy-6-phenylmethoxyhex-2-en-1-ol
SMILESCO[C@@H](C/C=C/CO)COCc1ccccc1
InChIInChI=1S/C14H20O3/c1-16-14(9-5-6-10-15)12-17-11-13-7-3-2-4-8-13/h2-8,14-15H,9-12H2,1H3/b6-5+/t14-/m0/s1
InChIKeyYPCJYFRFYGQERM-GJBLVYBDSA-N
XLogP2.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E,5S)-5-methoxy-6-phenylmethoxyhex-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E,5R)-5-[(2E)-2-hydroxyiminoethoxy]-6-phenylmethoxyhex-2-en-1-ol
CID 134967032
(Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol
CID 13182140
5-phenylmethoxypent-2-ene-1,4-diol
CID 85308041
methane;4-methoxy-5-phenylmethoxypentan-2-one
CID 159731500
(E,4R)-4-methyl-5-(phenylmethoxymethoxy)pent-2-en-1-ol
CID 11806633
(2-hydroperoxy-3-phenylmethoxypropoxy)methylbenzene
CID 12994155
(E,4S,5R)-5-(methoxymethoxy)-4,6-bis(phenylmethoxy)hex-2-en-1-ol
CID 135036464
2,3-dimethoxypropoxymethylbenzene;ethane;pyrene
CID 161050908
(2S)-2-phenoxy-3-phenylmethoxypropan-1-ol
CID 22831407
[(2R)-4,4-dibromo-2-methylbut-3-enoxy]methylbenzene
CID 124579108
1,3-bis(phenylmethoxy)propan-2-yl propanoate
CID 172575065
(Z,2R)-1-phenylmethoxyhex-4-en-2-ol
CID 10352950

Frequently Asked Questions

What is the IUPAC name of (E,5S)-5-methoxy-6-phenylmethoxyhex-2-en-1-ol?
The IUPAC name of (E,5S)-5-methoxy-6-phenylmethoxyhex-2-en-1-ol (CID 135076282) is (E,5S)-5-methoxy-6-phenylmethoxyhex-2-en-1-ol.
What is the SMILES notation for (E,5S)-5-methoxy-6-phenylmethoxyhex-2-en-1-ol?
The canonical SMILES for (E,5S)-5-methoxy-6-phenylmethoxyhex-2-en-1-ol is CO[C@@H](C/C=C/CO)COCc1ccccc1.
What is the InChIKey of (E,5S)-5-methoxy-6-phenylmethoxyhex-2-en-1-ol?
The InChIKey is YPCJYFRFYGQERM-GJBLVYBDSA-N. The full InChI is InChI=1S/C14H20O3/c1-16-14(9-5-6-10-15)12-17-11-13-7-3-2-4-8-13/h2-8,14-15H,9-12H2,1H3/b6-5+/t14-/m0/s1.
What are the key properties of (E,5S)-5-methoxy-6-phenylmethoxyhex-2-en-1-ol?
(E,5S)-5-methoxy-6-phenylmethoxyhex-2-en-1-ol has a molecular weight of 236.31 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5S)-5-methoxy-6-phenylmethoxyhex-2-en-1-ol is sourced from PubChem (CID 135076282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).