(2-cyclopropylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate

C19H18O2 — CID 153354225

IUPAC(2-cyclopropylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
SMILESCc1ccc(/C=C/C(=O)Oc2ccccc2C2CC2)cc1
InChIInChI=1S/C19H18O2/c1-14-6-8-15(9-7-14)10-13-19(20)21-18-5-3-2-4-17(18)16-11-12-16/h2-10,13,16H,11-12H2,1H3/b13-10+
InChIKeyLIHWFWLNPSVDSK-JLHYYAGUSA-N
MW278.35 g/mol
LogP4.49
Rot. Bonds4

About (2-cyclopropylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate

(2-cyclopropylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate (PubChem CID 153354225) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2-cyclopropylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate.

Molecular Properties

Compound Name(2-cyclopropylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
PubChem CID153354225
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name(2-cyclopropylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
SMILESCc1ccc(/C=C/C(=O)Oc2ccccc2C2CC2)cc1
InChIInChI=1S/C19H18O2/c1-14-6-8-15(9-7-14)10-13-19(20)21-18-5-3-2-4-17(18)16-11-12-16/h2-10,13,16H,11-12H2,1H3/b13-10+
InChIKeyLIHWFWLNPSVDSK-JLHYYAGUSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 19177201
(2-propan-2-ylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 917922
ethane;[4-[3-(4-methylphenyl)prop-2-enoyloxy]phenyl] 3-(4-methylphenyl)prop-2-enoate
CID 123696763
(4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 6275541
[4-[3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] 3-phenylprop-2-enoate
CID 4105954
[2-[3-(4-methylphenyl)prop-2-enoyl]phenyl] acetate
CID 2795085
(2,3,4,5,6-pentafluorophenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 87281040
(2,4-dimethylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 6128285
(4-methylphenyl) (E)-3-(4-aminophenyl)prop-2-enoate
CID 149241121
(2-cyclobutylphenyl) acetate
CID 176943294
phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate
CID 86184537
(2,3-dimethylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 6232920

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate?
The IUPAC name of (2-cyclopropylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate (CID 153354225) is (2-cyclopropylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate.
What is the SMILES notation for (2-cyclopropylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate?
The canonical SMILES for (2-cyclopropylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate is Cc1ccc(/C=C/C(=O)Oc2ccccc2C2CC2)cc1.
What is the InChIKey of (2-cyclopropylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate?
The InChIKey is LIHWFWLNPSVDSK-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H18O2/c1-14-6-8-15(9-7-14)10-13-19(20)21-18-5-3-2-4-17(18)16-11-12-16/h2-10,13,16H,11-12H2,1H3/b13-10+.
What are the key properties of (2-cyclopropylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate?
(2-cyclopropylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate has a molecular weight of 278.35 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate is sourced from PubChem (CID 153354225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).