(2S,3R)-3-phenylmethoxypent-4-en-2-ol

C12H16O2 — CID 73332888

IUPAC(2S,3R)-3-phenylmethoxypent-4-en-2-ol
SMILESC=C[C@@H](OCc1ccccc1)[C@H](C)O
InChIInChI=1S/C12H16O2/c1-3-12(10(2)13)14-9-11-7-5-4-6-8-11/h3-8,10,12-13H,1,9H2,2H3/t10-,12+/m0/s1
InChIKeyWYLOUASBAVLQHX-CMPLNLGQSA-N
MW192.26 g/mol
LogP2.14
Rot. Bonds5

About (2S,3R)-3-phenylmethoxypent-4-en-2-ol

(2S,3R)-3-phenylmethoxypent-4-en-2-ol (PubChem CID 73332888) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (2S,3R)-3-phenylmethoxypent-4-en-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-phenylmethoxypent-4-en-2-ol
PubChem CID73332888
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(2S,3R)-3-phenylmethoxypent-4-en-2-ol
SMILESC=C[C@@H](OCc1ccccc1)[C@H](C)O
InChIInChI=1S/C12H16O2/c1-3-12(10(2)13)14-9-11-7-5-4-6-8-11/h3-8,10,12-13H,1,9H2,2H3/t10-,12+/m0/s1
InChIKeyWYLOUASBAVLQHX-CMPLNLGQSA-N
XLogP2.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.14
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
4-methylpent-1-en-3-yloxymethylbenzene
CID 14644024
[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
(E,4R,5S)-5-hydroxy-4-phenylmethoxyhex-2-enoic acid
CID 11139101
(2S,3R,4R,5S)-5-hydroxy-2,3,4-tris(phenylmethoxy)hexanal
CID 18610492
(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal
CID 56926974
(3S,4S)-4-methyl-3-phenylmethoxyhex-5-enoic acid
CID 158311215
(2S,3R,4S)-4-benzyl-2-phenylmethoxyhex-5-en-3-ol
CID 121344680
penta-1,4-dien-3-yloxymethylbenzene
CID 102250646
1-bromo-1-phenylmethoxypropan-2-ol
CID 67553340
tri(propan-2-yl)-[(4S)-4,5,6-tris(phenylmethoxy)octa-1,7-dien-3-yl]oxysilane
CID 59435867
(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 (2S,3R)-3-phenylmethoxypent-4-en-2-ol?
The IUPAC name of (2S,3R)-3-phenylmethoxypent-4-en-2-ol (CID 73332888) is (2S,3R)-3-phenylmethoxypent-4-en-2-ol.
What is the SMILES notation for (2S,3R)-3-phenylmethoxypent-4-en-2-ol?
The canonical SMILES for (2S,3R)-3-phenylmethoxypent-4-en-2-ol is C=C[C@@H](OCc1ccccc1)[C@H](C)O.
What is the InChIKey of (2S,3R)-3-phenylmethoxypent-4-en-2-ol?
The InChIKey is WYLOUASBAVLQHX-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-12(10(2)13)14-9-11-7-5-4-6-8-11/h3-8,10,12-13H,1,9H2,2H3/t10-,12+/m0/s1.
What are the key properties of (2S,3R)-3-phenylmethoxypent-4-en-2-ol?
(2S,3R)-3-phenylmethoxypent-4-en-2-ol has a molecular weight of 192.26 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-phenylmethoxypent-4-en-2-ol is sourced from PubChem (CID 73332888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).