methyl (2R)-2,4-dimethyl-2-(3-phenylmethoxyphenyl)pent-4-enoate

C21H24O3 — CID 129390639

IUPACmethyl (2R)-2,4-dimethyl-2-(3-phenylmethoxyphenyl)pent-4-enoate
SMILESC=C(C)C[C@@](C)(C(=O)OC)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C21H24O3/c1-16(2)14-21(3,20(22)23-4)18-11-8-12-19(13-18)24-15-17-9-6-5-7-10-17/h5-13H,1,14-15H2,2-4H3/t21-/m1/s1
InChIKeyXYVROXKWJWAURY-OAQYLSRUSA-N
MW324.42 g/mol
LogP4.66
Rot. Bonds7

About methyl (2R)-2,4-dimethyl-2-(3-phenylmethoxyphenyl)pent-4-enoate

methyl (2R)-2,4-dimethyl-2-(3-phenylmethoxyphenyl)pent-4-enoate (PubChem CID 129390639) has the molecular formula C21H24O3 and a molecular weight of 324.42 g/mol. Its IUPAC name is methyl (2R)-2,4-dimethyl-2-(3-phenylmethoxyphenyl)pent-4-enoate.

Molecular Properties

Compound Namemethyl (2R)-2,4-dimethyl-2-(3-phenylmethoxyphenyl)pent-4-enoate
PubChem CID129390639
Molecular FormulaC21H24O3
Molecular Weight324.42 g/mol
Exact Mass324.17
IUPAC Namemethyl (2R)-2,4-dimethyl-2-(3-phenylmethoxyphenyl)pent-4-enoate
SMILESC=C(C)C[C@@](C)(C(=O)OC)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C21H24O3/c1-16(2)14-21(3,20(22)23-4)18-11-8-12-19(13-18)24-15-17-9-6-5-7-10-17/h5-13H,1,14-15H2,2-4H3/t21-/m1/s1
InChIKeyXYVROXKWJWAURY-OAQYLSRUSA-N
XLogP4.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (2R)-2,4-dimethyl-2-(3-phenylmethoxyphenyl)pent-4-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2R)-2-(3-methoxyphenyl)-2-methyl-3-phenylmethoxypropanoate
CID 11130824
2-(3-phenylmethoxyphenyl)propan-2-ol
CID 13368032
(2R)-2-amino-2-(3-phenylmethoxyphenyl)propanoic acid
CID 7345316
methyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate
CID 563862
1-(2,4-dimethylpent-4-en-2-yl)-4-phenylmethoxybenzene
CID 146167604
N-[2-methyl-2-(3-phenylmethoxyphenyl)propyl]propanamide
CID 118609735
6-methyl-6-(3-phenylmethoxyphenyl)hepta-2,4-dienoic acid
CID 72530435
benzyl 2,2-dimethyl-3-(3-phenylmethoxyphenyl)propanoate
CID 138549970
methyl (2R,3R)-3-hydroxy-2-methyl-2-phenyl-3-(4-phenylmethoxyphenyl)propanoate
CID 95654466
1-tert-butyl-3-[(4-phenylphenyl)methoxy]benzene
CID 59734480
1-(2-methyl-1-prop-2-enoxypropan-2-yl)-3-phenylmethoxybenzene
CID 59204436
1-[2-(3-methylbutoxy)propan-2-yl]-3-phenylmethoxybenzene
CID 171082478

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2,4-dimethyl-2-(3-phenylmethoxyphenyl)pent-4-enoate?
The IUPAC name of methyl (2R)-2,4-dimethyl-2-(3-phenylmethoxyphenyl)pent-4-enoate (CID 129390639) is methyl (2R)-2,4-dimethyl-2-(3-phenylmethoxyphenyl)pent-4-enoate.
What is the SMILES notation for methyl (2R)-2,4-dimethyl-2-(3-phenylmethoxyphenyl)pent-4-enoate?
The canonical SMILES for methyl (2R)-2,4-dimethyl-2-(3-phenylmethoxyphenyl)pent-4-enoate is C=C(C)C[C@@](C)(C(=O)OC)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of methyl (2R)-2,4-dimethyl-2-(3-phenylmethoxyphenyl)pent-4-enoate?
The InChIKey is XYVROXKWJWAURY-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H24O3/c1-16(2)14-21(3,20(22)23-4)18-11-8-12-19(13-18)24-15-17-9-6-5-7-10-17/h5-13H,1,14-15H2,2-4H3/t21-/m1/s1.
What are the key properties of methyl (2R)-2,4-dimethyl-2-(3-phenylmethoxyphenyl)pent-4-enoate?
methyl (2R)-2,4-dimethyl-2-(3-phenylmethoxyphenyl)pent-4-enoate has a molecular weight of 324.42 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2,4-dimethyl-2-(3-phenylmethoxyphenyl)pent-4-enoate is sourced from PubChem (CID 129390639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).