2-phenyl-3-(phenylmethoxymethyl)pent-4-enoic acid

C19H20O3 — CID 10880992

IUPAC2-phenyl-3-(phenylmethoxymethyl)pent-4-enoic acid
SMILESC=CC(COCc1ccccc1)C(C(=O)O)c1ccccc1
InChIInChI=1S/C19H20O3/c1-2-16(14-22-13-15-9-5-3-6-10-15)18(19(20)21)17-11-7-4-8-12-17/h2-12,16,18H,1,13-14H2,(H,20,21)
InChIKeyVJYHLXSKDVPWNQ-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.87
Rot. Bonds8

About 2-phenyl-3-(phenylmethoxymethyl)pent-4-enoic acid

2-phenyl-3-(phenylmethoxymethyl)pent-4-enoic acid (PubChem CID 10880992) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-phenyl-3-(phenylmethoxymethyl)pent-4-enoic acid.

Molecular Properties

Compound Name2-phenyl-3-(phenylmethoxymethyl)pent-4-enoic acid
PubChem CID10880992
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name2-phenyl-3-(phenylmethoxymethyl)pent-4-enoic acid
SMILESC=CC(COCc1ccccc1)C(C(=O)O)c1ccccc1
InChIInChI=1S/C19H20O3/c1-2-16(14-22-13-15-9-5-3-6-10-15)18(19(20)21)17-11-7-4-8-12-17/h2-12,16,18H,1,13-14H2,(H,20,21)
InChIKeyVJYHLXSKDVPWNQ-UHFFFAOYSA-N
XLogP3.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.87
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

3-(phenylmethoxymethyl)-2-propylpent-4-enal
CID 86086944
propan-2-yl (3R,4S)-3-methyl-2-oxo-4-(phenylmethoxymethyl)hex-5-enoate
CID 25229028
(2S,3R)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-(4-methylphenyl)-3-(phenylmethoxymethyl)pent-4-enamide
CID 11080618
(2R,3R)-2-ethenyl-4-phenylmethoxybutane-1,3-diol
CID 13112316
(2R)-2-phenyl-2-[[(2S,3S)-3-(phenylmethoxymethyl)pent-4-en-2-yl]amino]ethanol
CID 46868747
(2S)-2-(phenylmethoxymethyl)but-3-en-1-ol
CID 124630520
3,5-dihydroxy-2-phenylhept-6-enoic acid
CID 67778558
N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-N-prop-2-enylprop-2-en-1-amine
CID 11185890
prop-2-enyl 2-hydroxy-3-phenylmethoxypropanoate
CID 67804121
ethyl (2R,3R)-3-hydroxy-2-phenyl-4-phenylmethoxybutanoate
CID 100958275
[(2R)-2-[(1R)-1-methoxy-2-prop-2-enoxyethyl]but-3-enoxy]methylbenzene
CID 102578151
ethyl (2S,3S)-3-hydroxy-2-phenyl-4-phenylmethoxybutanoate
CID 100958276

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(phenylmethoxymethyl)pent-4-enoic acid?
The IUPAC name of 2-phenyl-3-(phenylmethoxymethyl)pent-4-enoic acid (CID 10880992) is 2-phenyl-3-(phenylmethoxymethyl)pent-4-enoic acid.
What is the SMILES notation for 2-phenyl-3-(phenylmethoxymethyl)pent-4-enoic acid?
The canonical SMILES for 2-phenyl-3-(phenylmethoxymethyl)pent-4-enoic acid is C=CC(COCc1ccccc1)C(C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenyl-3-(phenylmethoxymethyl)pent-4-enoic acid?
The InChIKey is VJYHLXSKDVPWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-2-16(14-22-13-15-9-5-3-6-10-15)18(19(20)21)17-11-7-4-8-12-17/h2-12,16,18H,1,13-14H2,(H,20,21).
What are the key properties of 2-phenyl-3-(phenylmethoxymethyl)pent-4-enoic acid?
2-phenyl-3-(phenylmethoxymethyl)pent-4-enoic acid has a molecular weight of 296.37 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(phenylmethoxymethyl)pent-4-enoic acid is sourced from PubChem (CID 10880992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).