benzyl 3-(4-propan-2-ylphenyl)prop-2-enoate

C19H20O2 — CID 5044807

IUPACbenzyl 3-(4-propan-2-ylphenyl)prop-2-enoate
SMILESCC(C)c1ccc(C=CC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C19H20O2/c1-15(2)18-11-8-16(9-12-18)10-13-19(20)21-14-17-6-4-3-5-7-17/h3-13,15H,14H2,1-2H3
InChIKeyAZZPQUCKCZMPRS-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.57
Rot. Bonds5

About benzyl 3-(4-propan-2-ylphenyl)prop-2-enoate

benzyl 3-(4-propan-2-ylphenyl)prop-2-enoate (PubChem CID 5044807) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is benzyl 3-(4-propan-2-ylphenyl)prop-2-enoate.

Molecular Properties

Compound Namebenzyl 3-(4-propan-2-ylphenyl)prop-2-enoate
PubChem CID5044807
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Namebenzyl 3-(4-propan-2-ylphenyl)prop-2-enoate
SMILESCC(C)c1ccc(C=CC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C19H20O2/c1-15(2)18-11-8-16(9-12-18)10-13-19(20)21-14-17-6-4-3-5-7-17/h3-13,15H,14H2,1-2H3
InChIKeyAZZPQUCKCZMPRS-UHFFFAOYSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2-chlorophenyl)methyl (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 7574706
benzyl (E)-3-(4-acetylphenyl)prop-2-enoate
CID 132608073
benzyl (E)-3-(4-tert-butylphenyl)prop-2-enoate
CID 67918730
acetonitrile;benzyl 3-phenylprop-2-enoate
CID 174428779
benzyl 3-[4-(trichloromethyl)phenyl]prop-2-enoate
CID 141299715
(2-benzamido-2-oxoethyl) (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 42984269
benzyl 3-[4-(2,2-diethoxyethoxy)phenyl]prop-2-enoate
CID 141278976
(4-propan-2-ylphenyl)methyl (E)-3-(2-nitrophenyl)prop-2-enoate
CID 7794930
(4-phenylphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 7872590
propan-2-yl 3-(4-propan-2-ylphenyl)prop-2-enoate
CID 67541560
benzyl (E)-but-2-enoate
CID 5356259
dibenzyl 2-(2-phenylethenyl)but-2-enedioate
CID 174770174

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(4-propan-2-ylphenyl)prop-2-enoate?
The IUPAC name of benzyl 3-(4-propan-2-ylphenyl)prop-2-enoate (CID 5044807) is benzyl 3-(4-propan-2-ylphenyl)prop-2-enoate.
What is the SMILES notation for benzyl 3-(4-propan-2-ylphenyl)prop-2-enoate?
The canonical SMILES for benzyl 3-(4-propan-2-ylphenyl)prop-2-enoate is CC(C)c1ccc(C=CC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl 3-(4-propan-2-ylphenyl)prop-2-enoate?
The InChIKey is AZZPQUCKCZMPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-15(2)18-11-8-16(9-12-18)10-13-19(20)21-14-17-6-4-3-5-7-17/h3-13,15H,14H2,1-2H3.
What are the key properties of benzyl 3-(4-propan-2-ylphenyl)prop-2-enoate?
benzyl 3-(4-propan-2-ylphenyl)prop-2-enoate has a molecular weight of 280.37 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(4-propan-2-ylphenyl)prop-2-enoate is sourced from PubChem (CID 5044807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).