2-[3-(3-methylphenyl)phenoxy]ethyl prop-2-enoate

C18H18O3 — CID 70425725

IUPAC2-[3-(3-methylphenyl)phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1cccc(-c2cccc(C)c2)c1
InChIInChI=1S/C18H18O3/c1-3-18(19)21-11-10-20-17-9-5-8-16(13-17)15-7-4-6-14(2)12-15/h3-9,12-13H,1,10-11H2,2H3
InChIKeyCDSDNIVVNARMEF-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.77
Rot. Bonds6

About 2-[3-(3-methylphenyl)phenoxy]ethyl prop-2-enoate

2-[3-(3-methylphenyl)phenoxy]ethyl prop-2-enoate (PubChem CID 70425725) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[3-(3-methylphenyl)phenoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[3-(3-methylphenyl)phenoxy]ethyl prop-2-enoate
PubChem CID70425725
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name2-[3-(3-methylphenyl)phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1cccc(-c2cccc(C)c2)c1
InChIInChI=1S/C18H18O3/c1-3-18(19)21-11-10-20-17-9-5-8-16(13-17)15-7-4-6-14(2)12-15/h3-9,12-13H,1,10-11H2,2H3
InChIKeyCDSDNIVVNARMEF-UHFFFAOYSA-N
XLogP3.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxyphenoxy)ethyl prop-2-enoate
CID 57126182
2-[3-(prop-2-enoyloxymethyl)phenoxy]ethyl prop-2-enoate
CID 118333634
methyl prop-2-enoate;2-phenoxyethyl prop-2-enoate
CID 174741391
methane;2-(4-phenylphenoxy)ethyl prop-2-enoate
CID 159356060
[4-[3-[3,5-bis(2-prop-2-enoyloxyethoxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 118907751
2-(2,4-dimethylphenoxy)ethyl prop-2-enoate
CID 58160672
2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate
CID 59181081
2-(3-methylphenoxy)ethyl butanoate
CID 13247559
2-pyridin-3-yloxyethyl prop-2-enoate
CID 59502785
ethene;(3-methylphenyl) prop-2-enoate
CID 161018707
2-(2-bromo-4-methylphenoxy)ethyl prop-2-enoate
CID 58160674
3-(10-prop-2-enoyloxydecoxy)benzoic acid
CID 101392903

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylphenyl)phenoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[3-(3-methylphenyl)phenoxy]ethyl prop-2-enoate (CID 70425725) is 2-[3-(3-methylphenyl)phenoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[3-(3-methylphenyl)phenoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[3-(3-methylphenyl)phenoxy]ethyl prop-2-enoate is C=CC(=O)OCCOc1cccc(-c2cccc(C)c2)c1.
What is the InChIKey of 2-[3-(3-methylphenyl)phenoxy]ethyl prop-2-enoate?
The InChIKey is CDSDNIVVNARMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-3-18(19)21-11-10-20-17-9-5-8-16(13-17)15-7-4-6-14(2)12-15/h3-9,12-13H,1,10-11H2,2H3.
What are the key properties of 2-[3-(3-methylphenyl)phenoxy]ethyl prop-2-enoate?
2-[3-(3-methylphenyl)phenoxy]ethyl prop-2-enoate has a molecular weight of 282.34 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylphenyl)phenoxy]ethyl prop-2-enoate is sourced from PubChem (CID 70425725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).