(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enoic acid

C19H20O3 — CID 71623405

IUPAC(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enoic acid
SMILESC=C[C@@H](c1cccc(OCc2ccccc2)c1)[C@@H](C)C(=O)O
InChIInChI=1S/C19H20O3/c1-3-18(14(2)19(20)21)16-10-7-11-17(12-16)22-13-15-8-5-4-6-9-15/h3-12,14,18H,1,13H2,2H3,(H,20,21)/t14-,18-/m1/s1
InChIKeyUNJLYNWSIVCMMQ-RDTXWAMCSA-N
MW296.37 g/mol
LogP4.26
Rot. Bonds7

About (2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enoic acid

(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enoic acid (PubChem CID 71623405) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is (2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enoic acid.

Molecular Properties

Compound Name(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enoic acid
PubChem CID71623405
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enoic acid
SMILESC=C[C@@H](c1cccc(OCc2ccccc2)c1)[C@@H](C)C(=O)O
InChIInChI=1S/C19H20O3/c1-3-18(14(2)19(20)21)16-10-7-11-17(12-16)22-13-15-8-5-4-6-9-15/h3-12,14,18H,1,13H2,2H3,(H,20,21)/t14-,18-/m1/s1
InChIKeyUNJLYNWSIVCMMQ-RDTXWAMCSA-N
XLogP4.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.26
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

(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enamide
CID 118204605
(2R,3R)-3-(3-methoxyphenyl)-2-methylpent-4-enoic acid
CID 118204888
(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-en-1-amine
CID 118204778
(2S)-2-methyl-3-phenylpent-4-enoic acid
CID 70506498
(2R,3R)-N-benzyl-N-ethyl-3-(3-methoxyphenyl)-2-methylpent-4-enamide
CID 118204661
3,5-bis(3-phenylmethoxyphenyl)heptan-4-one
CID 139719265
1-(3-phenylmethoxyphenyl)propane-1,2-diol
CID 137375721
2-[hydroxy-(3-phenylmethoxyphenyl)methyl]butanoic acid
CID 67882455
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enal
CID 161278873
[(2R)-2-(3-phenylmethoxyphenyl)propyl]phosphonic acid
CID 172834539
[(2S)-2-(3-phenylmethoxyphenyl)propyl]phosphonic acid
CID 172834538

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enoic acid?
The IUPAC name of (2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enoic acid (CID 71623405) is (2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enoic acid.
What is the SMILES notation for (2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enoic acid?
The canonical SMILES for (2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enoic acid is C=C[C@@H](c1cccc(OCc2ccccc2)c1)[C@@H](C)C(=O)O.
What is the InChIKey of (2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enoic acid?
The InChIKey is UNJLYNWSIVCMMQ-RDTXWAMCSA-N. The full InChI is InChI=1S/C19H20O3/c1-3-18(14(2)19(20)21)16-10-7-11-17(12-16)22-13-15-8-5-4-6-9-15/h3-12,14,18H,1,13H2,2H3,(H,20,21)/t14-,18-/m1/s1.
What are the key properties of (2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enoic acid?
(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enoic acid has a molecular weight of 296.37 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enoic acid is sourced from PubChem (CID 71623405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).