[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene

C20H22O2 — CID 10756228

IUPAC[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
SMILESC=C[C@@H](OCc1ccccc1)[C@@H](C=C)OCc1ccccc1
InChIInChI=1S/C20H22O2/c1-3-19(21-15-17-11-7-5-8-12-17)20(4-2)22-16-18-13-9-6-10-14-18/h3-14,19-20H,1-2,15-16H2/t19-,20-/m1/s1
InChIKeySIDNFRGHUJGCFX-WOJBJXKFSA-N
MW294.39 g/mol
LogP4.53
Rot. Bonds9

About [(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene

[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene (PubChem CID 10756228) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is [(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene.

Molecular Properties

Compound Name[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
PubChem CID10756228
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
SMILESC=C[C@@H](OCc1ccccc1)[C@@H](C=C)OCc1ccccc1
InChIInChI=1S/C20H22O2/c1-3-19(21-15-17-11-7-5-8-12-17)20(4-2)22-16-18-13-9-6-10-14-18/h3-14,19-20H,1-2,15-16H2/t19-,20-/m1/s1
InChIKeySIDNFRGHUJGCFX-WOJBJXKFSA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal
CID 56926974
4-methylpent-1-en-3-yloxymethylbenzene
CID 14644024
(2S,3R)-3-phenylmethoxypent-4-en-2-ol
CID 73332888
penta-1,4-dien-3-yloxymethylbenzene
CID 102250646
(2R,3R)-N-[(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enyl]-2,3-bis(phenylmethoxy)pent-4-en-1-amine
CID 46915682
(2S,3R,4R)-4-phenylmethoxyhex-5-ene-2,3-diol
CID 46855133
1-chloroprop-2-enoxymethylbenzene
CID 175273540
[(1R)-1-methoxyprop-2-enoxy]methylbenzene
CID 126647784
[(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1S)-1-phenylmethoxyprop-2-ynyl]pent-4-enoxy]methylbenzene
CID 11082024
(NZ)-N-[(3R,4R)-3,4-bis(phenylmethoxy)hex-5-enylidene]hydroxylamine
CID 23240840
[(1R,2S)-2-phenylmethoxy-1-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]but-3-enoxy]methylbenzene
CID 101489173
(2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-ol
CID 11827633

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene?
The IUPAC name of [(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene (CID 10756228) is [(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene.
What is the SMILES notation for [(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene?
The canonical SMILES for [(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene is C=C[C@@H](OCc1ccccc1)[C@@H](C=C)OCc1ccccc1.
What is the InChIKey of [(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene?
The InChIKey is SIDNFRGHUJGCFX-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H22O2/c1-3-19(21-15-17-11-7-5-8-12-17)20(4-2)22-16-18-13-9-6-10-14-18/h3-14,19-20H,1-2,15-16H2/t19-,20-/m1/s1.
What are the key properties of [(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene?
[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene has a molecular weight of 294.39 g/mol, XLogP of 4.53, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene is sourced from PubChem (CID 10756228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).