ethyl 3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoate

C19H20O3 — CID 131847797

IUPACethyl 3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(OCc2cccc(C)c2)cc1
InChIInChI=1S/C19H20O3/c1-3-21-19(20)12-9-16-7-10-18(11-8-16)22-14-17-6-4-5-15(2)13-17/h4-13H,3,14H2,1-2H3
InChIKeyBFYCVFKSKJXZCF-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.15
Rot. Bonds6

About ethyl 3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoate

ethyl 3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoate (PubChem CID 131847797) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl 3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoate
PubChem CID131847797
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Nameethyl 3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(OCc2cccc(C)c2)cc1
InChIInChI=1S/C19H20O3/c1-3-21-19(20)12-9-16-7-10-18(11-8-16)22-14-17-6-4-5-15(2)13-17/h4-13H,3,14H2,1-2H3
InChIKeyBFYCVFKSKJXZCF-UHFFFAOYSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 6065791
(3-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19175339
(4-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19175340
ethyl (E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 91684542
(NZ)-N-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6272354
1-methyl-3-[[4-[(E)-2-nitroethenyl]phenoxy]methyl]benzene
CID 974554
ethyl (E)-3-(4-benzylphenyl)prop-2-enoate
CID 67528407
3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 139936599
ethyl 3-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]propanoate
CID 118176686
ethyl 3-[4-[14-(4-phenylmethoxyphenyl)tetradecylamino]phenyl]prop-2-enoate
CID 57315143
ethyl 3-[4-[[4-(2-methoxyimino-2-phenylethoxy)phenyl]methoxy]phenyl]prop-2-enoate
CID 123759809
ethyl (E)-3-(2,6-dimethyl-4-phenylmethoxyphenyl)prop-2-enoate
CID 58754048

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoate?
The IUPAC name of ethyl 3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoate (CID 131847797) is ethyl 3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoate?
The canonical SMILES for ethyl 3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoate is CCOC(=O)C=Cc1ccc(OCc2cccc(C)c2)cc1.
What is the InChIKey of ethyl 3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoate?
The InChIKey is BFYCVFKSKJXZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-3-21-19(20)12-9-16-7-10-18(11-8-16)22-14-17-6-4-5-15(2)13-17/h4-13H,3,14H2,1-2H3.
What are the key properties of ethyl 3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoate?
ethyl 3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoate has a molecular weight of 296.37 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoate is sourced from PubChem (CID 131847797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).