(2S,3R,4S)-4-benzyl-2-phenylmethoxyhex-5-en-3-ol

C20H24O2 — CID 121344680

IUPAC(2S,3R,4S)-4-benzyl-2-phenylmethoxyhex-5-en-3-ol
SMILESC=C[C@H](Cc1ccccc1)[C@@H](O)[C@H](C)OCc1ccccc1
InChIInChI=1S/C20H24O2/c1-3-19(14-17-10-6-4-7-11-17)20(21)16(2)22-15-18-12-8-5-9-13-18/h3-13,16,19-21H,1,14-15H2,2H3/t16-,19+,20-/m0/s1
InChIKeyJTOLBDHYIYFIFW-DBVUQKKJSA-N
MW296.41 g/mol
LogP4.00
Rot. Bonds8

About (2S,3R,4S)-4-benzyl-2-phenylmethoxyhex-5-en-3-ol

(2S,3R,4S)-4-benzyl-2-phenylmethoxyhex-5-en-3-ol (PubChem CID 121344680) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is (2S,3R,4S)-4-benzyl-2-phenylmethoxyhex-5-en-3-ol.

Molecular Properties

Compound Name(2S,3R,4S)-4-benzyl-2-phenylmethoxyhex-5-en-3-ol
PubChem CID121344680
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name(2S,3R,4S)-4-benzyl-2-phenylmethoxyhex-5-en-3-ol
SMILESC=C[C@H](Cc1ccccc1)[C@@H](O)[C@H](C)OCc1ccccc1
InChIInChI=1S/C20H24O2/c1-3-19(14-17-10-6-4-7-11-17)20(21)16(2)22-15-18-12-8-5-9-13-18/h3-13,16,19-21H,1,14-15H2,2H3/t16-,19+,20-/m0/s1
InChIKeyJTOLBDHYIYFIFW-DBVUQKKJSA-N
XLogP4.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4R)-4-phenylmethoxyhex-5-ene-2,3-diol
CID 46855133
(2S,3R)-3-phenylmethoxypent-4-en-2-ol
CID 73332888
(2S)-2-phenylmethoxypropane-1,1-diol
CID 141364024
(3S,4R,5S)-4-benzyl-5-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol
CID 118194675
(3R,4S,5S)-4-methyl-5-phenylmethoxyhexan-3-ol
CID 10799076
fluorobenzene;2-methyl-4-phenylmethoxypentan-3-ol
CID 142400351
6-phenylmethoxyheptane-1,2,3,4,5-pentol
CID 174419324
4-methylpent-1-en-3-yloxymethylbenzene
CID 14644024
S-tert-butyl (2S,3S,4S)-3-hydroxy-2-methyl-4-phenylmethoxypentanethioate
CID 13460109
(2S,3S)-3-phenylmethoxy-1-(2-prop-2-enylphenyl)butan-2-ol
CID 57030159
[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-4-benzyl-2-phenylmethoxyhex-5-en-3-ol?
The IUPAC name of (2S,3R,4S)-4-benzyl-2-phenylmethoxyhex-5-en-3-ol (CID 121344680) is (2S,3R,4S)-4-benzyl-2-phenylmethoxyhex-5-en-3-ol.
What is the SMILES notation for (2S,3R,4S)-4-benzyl-2-phenylmethoxyhex-5-en-3-ol?
The canonical SMILES for (2S,3R,4S)-4-benzyl-2-phenylmethoxyhex-5-en-3-ol is C=C[C@H](Cc1ccccc1)[C@@H](O)[C@H](C)OCc1ccccc1.
What is the InChIKey of (2S,3R,4S)-4-benzyl-2-phenylmethoxyhex-5-en-3-ol?
The InChIKey is JTOLBDHYIYFIFW-DBVUQKKJSA-N. The full InChI is InChI=1S/C20H24O2/c1-3-19(14-17-10-6-4-7-11-17)20(21)16(2)22-15-18-12-8-5-9-13-18/h3-13,16,19-21H,1,14-15H2,2H3/t16-,19+,20-/m0/s1.
What are the key properties of (2S,3R,4S)-4-benzyl-2-phenylmethoxyhex-5-en-3-ol?
(2S,3R,4S)-4-benzyl-2-phenylmethoxyhex-5-en-3-ol has a molecular weight of 296.41 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-4-benzyl-2-phenylmethoxyhex-5-en-3-ol is sourced from PubChem (CID 121344680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).