[(2S,3S)-5-methyl-3-phenylhex-4-en-2-yl]oxymethylbenzene

C20H24O — CID 11119498

IUPAC[(2S,3S)-5-methyl-3-phenylhex-4-en-2-yl]oxymethylbenzene
SMILESCC(C)=C[C@@H](c1ccccc1)[C@H](C)OCc1ccccc1
InChIInChI=1S/C20H24O/c1-16(2)14-20(19-12-8-5-9-13-19)17(3)21-15-18-10-6-4-7-11-18/h4-14,17,20H,15H2,1-3H3/t17-,20+/m0/s1
InChIKeyXKRXUUORDZGTSN-FXAWDEMLSA-N
MW280.41 g/mol
LogP5.34
Rot. Bonds6

About [(2S,3S)-5-methyl-3-phenylhex-4-en-2-yl]oxymethylbenzene

[(2S,3S)-5-methyl-3-phenylhex-4-en-2-yl]oxymethylbenzene (PubChem CID 11119498) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is [(2S,3S)-5-methyl-3-phenylhex-4-en-2-yl]oxymethylbenzene.

Molecular Properties

Compound Name[(2S,3S)-5-methyl-3-phenylhex-4-en-2-yl]oxymethylbenzene
PubChem CID11119498
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name[(2S,3S)-5-methyl-3-phenylhex-4-en-2-yl]oxymethylbenzene
SMILESCC(C)=C[C@@H](c1ccccc1)[C@H](C)OCc1ccccc1
InChIInChI=1S/C20H24O/c1-16(2)14-20(19-12-8-5-9-13-19)17(3)21-15-18-10-6-4-7-11-18/h4-14,17,20H,15H2,1-3H3/t17-,20+/m0/s1
InChIKeyXKRXUUORDZGTSN-FXAWDEMLSA-N
XLogP5.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-phenylmethoxypropane-1,1-diol
CID 141364024
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472
3,4-bis(phenylmethoxy)pentan-1-ol
CID 123654711
(2R,3R)-3-phenylmethoxybutane-1,2-diol
CID 13119193
(3R,4S,5S)-4-methyl-5-phenylmethoxyhexan-3-ol
CID 10799076
(2R,4S)-2,3-dimethyl-4-phenylmethoxypentanoic acid
CID 134864943
2-amino-3-phenylmethoxybutan-1-ol;methane
CID 162219428
(4R)-3-hydroxy-2,2-dimethyl-4-phenylmethoxypentanal
CID 135040857
benzhydryloxymethylbenzene
CID 11437288
(2R,3R)-2-phenylmethoxybutane-1,3-diol
CID 130609358
(3-methyl-4-phenylmethoxybutan-2-yl)oxymethylbenzene
CID 90923147
[(3S)-3-iodopentan-2-yl]oxymethylbenzene
CID 161266515

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-5-methyl-3-phenylhex-4-en-2-yl]oxymethylbenzene?
The IUPAC name of [(2S,3S)-5-methyl-3-phenylhex-4-en-2-yl]oxymethylbenzene (CID 11119498) is [(2S,3S)-5-methyl-3-phenylhex-4-en-2-yl]oxymethylbenzene.
What is the SMILES notation for [(2S,3S)-5-methyl-3-phenylhex-4-en-2-yl]oxymethylbenzene?
The canonical SMILES for [(2S,3S)-5-methyl-3-phenylhex-4-en-2-yl]oxymethylbenzene is CC(C)=C[C@@H](c1ccccc1)[C@H](C)OCc1ccccc1.
What is the InChIKey of [(2S,3S)-5-methyl-3-phenylhex-4-en-2-yl]oxymethylbenzene?
The InChIKey is XKRXUUORDZGTSN-FXAWDEMLSA-N. The full InChI is InChI=1S/C20H24O/c1-16(2)14-20(19-12-8-5-9-13-19)17(3)21-15-18-10-6-4-7-11-18/h4-14,17,20H,15H2,1-3H3/t17-,20+/m0/s1.
What are the key properties of [(2S,3S)-5-methyl-3-phenylhex-4-en-2-yl]oxymethylbenzene?
[(2S,3S)-5-methyl-3-phenylhex-4-en-2-yl]oxymethylbenzene has a molecular weight of 280.41 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-5-methyl-3-phenylhex-4-en-2-yl]oxymethylbenzene is sourced from PubChem (CID 11119498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).