(E,1S,3S)-5-[4-(methoxymethoxymethyl)phenyl]-1,3-diphenylpent-4-en-1-ol

C26H28O3 — CID 102589015

IUPAC(E,1S,3S)-5-[4-(methoxymethoxymethyl)phenyl]-1,3-diphenylpent-4-en-1-ol
SMILESCOCOCc1ccc(/C=C/[C@H](C[C@H](O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H28O3/c1-28-20-29-19-22-14-12-21(13-15-22)16-17-25(23-8-4-2-5-9-23)18-26(27)24-10-6-3-7-11-24/h2-17,25-27H,18-20H2,1H3/b17-16+/t25-,26+/m1/s1
InChIKeyNCLCVRYODXHMAQ-JXOUXBMHSA-N
MW388.51 g/mol
LogP5.73
Rot. Bonds10

About (E,1S,3S)-5-[4-(methoxymethoxymethyl)phenyl]-1,3-diphenylpent-4-en-1-ol

(E,1S,3S)-5-[4-(methoxymethoxymethyl)phenyl]-1,3-diphenylpent-4-en-1-ol (PubChem CID 102589015) has the molecular formula C26H28O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is (E,1S,3S)-5-[4-(methoxymethoxymethyl)phenyl]-1,3-diphenylpent-4-en-1-ol.

Molecular Properties

Compound Name(E,1S,3S)-5-[4-(methoxymethoxymethyl)phenyl]-1,3-diphenylpent-4-en-1-ol
PubChem CID102589015
Molecular FormulaC26H28O3
Molecular Weight388.51 g/mol
Exact Mass388.20
IUPAC Name(E,1S,3S)-5-[4-(methoxymethoxymethyl)phenyl]-1,3-diphenylpent-4-en-1-ol
SMILESCOCOCc1ccc(/C=C/[C@H](C[C@H](O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H28O3/c1-28-20-29-19-22-14-12-21(13-15-22)16-17-25(23-8-4-2-5-9-23)18-26(27)24-10-6-3-7-11-24/h2-17,25-27H,18-20H2,1H3/b17-16+/t25-,26+/m1/s1
InChIKeyNCLCVRYODXHMAQ-JXOUXBMHSA-N
XLogP5.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,4-bis(methoxymethoxymethyl)benzene
CID 121009952
methyl 4-[(E)-1-hydroxy-5-[4-(methoxymethoxymethyl)phenyl]pent-4-enyl]benzoate
CID 10915635
methyl (E)-3,5-diphenylpent-4-enoate
CID 15893254
(2S,3S)-5-(methoxymethoxy)-2-[(E)-2-phenylethenyl]pentane-1,3-diol
CID 10106980
(E,2R)-6-(4-fluorophenyl)-1-phenylmethoxyhex-5-ene-2,4-diol
CID 56946569
(Z,1R,5R)-5-methyl-1-phenyl-6-phenylmethoxyhex-3-en-1-ol
CID 15043730
1-phenylmethoxy-4-(4-phenylmethoxyphenyl)but-3-en-2-ol
CID 70426552
(2S,3S,4E,6E)-7-phenyl-1-phenylmethoxyhepta-4,6-diene-2,3-diol
CID 10542988
(1R)-3,3-dimethoxy-1-phenylpropan-1-ol
CID 11687059
benzene;2-methoxy-1-phenylethanol
CID 174622919
(1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol
CID 122402908
[(E)-4-(methoxymethoxy)-3-methylbut-2-enoxy]methylbenzene
CID 11572215

Frequently Asked Questions

What is the IUPAC name of (E,1S,3S)-5-[4-(methoxymethoxymethyl)phenyl]-1,3-diphenylpent-4-en-1-ol?
The IUPAC name of (E,1S,3S)-5-[4-(methoxymethoxymethyl)phenyl]-1,3-diphenylpent-4-en-1-ol (CID 102589015) is (E,1S,3S)-5-[4-(methoxymethoxymethyl)phenyl]-1,3-diphenylpent-4-en-1-ol.
What is the SMILES notation for (E,1S,3S)-5-[4-(methoxymethoxymethyl)phenyl]-1,3-diphenylpent-4-en-1-ol?
The canonical SMILES for (E,1S,3S)-5-[4-(methoxymethoxymethyl)phenyl]-1,3-diphenylpent-4-en-1-ol is COCOCc1ccc(/C=C/[C@H](C[C@H](O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (E,1S,3S)-5-[4-(methoxymethoxymethyl)phenyl]-1,3-diphenylpent-4-en-1-ol?
The InChIKey is NCLCVRYODXHMAQ-JXOUXBMHSA-N. The full InChI is InChI=1S/C26H28O3/c1-28-20-29-19-22-14-12-21(13-15-22)16-17-25(23-8-4-2-5-9-23)18-26(27)24-10-6-3-7-11-24/h2-17,25-27H,18-20H2,1H3/b17-16+/t25-,26+/m1/s1.
What are the key properties of (E,1S,3S)-5-[4-(methoxymethoxymethyl)phenyl]-1,3-diphenylpent-4-en-1-ol?
(E,1S,3S)-5-[4-(methoxymethoxymethyl)phenyl]-1,3-diphenylpent-4-en-1-ol has a molecular weight of 388.51 g/mol, XLogP of 5.73, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1S,3S)-5-[4-(methoxymethoxymethyl)phenyl]-1,3-diphenylpent-4-en-1-ol is sourced from PubChem (CID 102589015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).