benzyl (E,2S,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enoate

C19H20O3 — CID 134904469

IUPACbenzyl (E,2S,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enoate
SMILESC[C@H](C(=O)OCc1ccccc1)[C@@H](O)/C=C/c1ccccc1
InChIInChI=1S/C19H20O3/c1-15(18(20)13-12-16-8-4-2-5-9-16)19(21)22-14-17-10-6-3-7-11-17/h2-13,15,18,20H,14H2,1H3/b13-12+/t15-,18-/m0/s1
InChIKeyOFHVXMXGPSMCMN-IXUWUVECSA-N
MW296.37 g/mol
LogP3.44
Rot. Bonds6

About benzyl (E,2S,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enoate

benzyl (E,2S,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enoate (PubChem CID 134904469) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is benzyl (E,2S,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enoate.

Molecular Properties

Compound Namebenzyl (E,2S,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enoate
PubChem CID134904469
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Namebenzyl (E,2S,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enoate
SMILESC[C@H](C(=O)OCc1ccccc1)[C@@H](O)/C=C/c1ccccc1
InChIInChI=1S/C19H20O3/c1-15(18(20)13-12-16-8-4-2-5-9-16)19(21)22-14-17-10-6-3-7-11-17/h2-13,15,18,20H,14H2,1H3/b13-12+/t15-,18-/m0/s1
InChIKeyOFHVXMXGPSMCMN-IXUWUVECSA-N
XLogP3.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl (E,2S,3S)-3-hydroxy-2-methyl-5-phenylpent-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

(E,4R,5S)-5-hydroxy-4-methyl-7-phenylhept-6-en-3-one
CID 12031058
ethyl (E,2R,3S)-2-benzyl-3-methyl-5-phenylpent-4-enoate
CID 134973992
benzyl 3-hydroxy-2-methyl-3-phenylmethoxypropanoate
CID 167055654
(E,2R,3R)-3-hydroxy-2-methyl-1,5-diphenylpent-4-en-1-one
CID 15271770
benzyl (2S,3S)-3-hydroxy-2-methyl-5-phenylpentanoate
CID 102173872
benzyl (E,2S)-5-phenyl-3-[[(1R)-1-phenylethyl]amino]-2-prop-2-enylpent-4-enoate
CID 58622798
benzyl (2S)-2-aminopropanoate
CID 726858
(E)-1-bis(phenylmethoxy)phosphoryl-3-phenylprop-2-en-1-ol
CID 5470783
(E,3S,4S)-4-(dibenzylamino)-6-methyl-1-phenylhept-1-en-3-ol
CID 102427916
(E,2S,5R)-6-hydroxy-5-methyl-8-phenyl-2-tri(propan-2-yl)silyloxyoct-7-en-4-one
CID 134931180
(E,2R,5S,6S)-6-hydroxy-5-methyl-8-phenyl-2-tri(propan-2-yl)silyloxyoct-7-en-4-one
CID 101204238
benzyl 4-amino-3-benzyl-2-methyl-4-oxobutanoate
CID 90829390

Frequently Asked Questions

What is the IUPAC name of benzyl (E,2S,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enoate?
The IUPAC name of benzyl (E,2S,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enoate (CID 134904469) is benzyl (E,2S,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enoate.
What is the SMILES notation for benzyl (E,2S,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enoate?
The canonical SMILES for benzyl (E,2S,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enoate is C[C@H](C(=O)OCc1ccccc1)[C@@H](O)/C=C/c1ccccc1.
What is the InChIKey of benzyl (E,2S,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enoate?
The InChIKey is OFHVXMXGPSMCMN-IXUWUVECSA-N. The full InChI is InChI=1S/C19H20O3/c1-15(18(20)13-12-16-8-4-2-5-9-16)19(21)22-14-17-10-6-3-7-11-17/h2-13,15,18,20H,14H2,1H3/b13-12+/t15-,18-/m0/s1.
What are the key properties of benzyl (E,2S,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enoate?
benzyl (E,2S,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enoate has a molecular weight of 296.37 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (E,2S,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enoate is sourced from PubChem (CID 134904469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).