(Z)-3-[2-(3,5-dimethylphenoxy)phenyl]prop-2-enoic acid

C17H16O3 — CID 5399138

IUPAC(Z)-3-[2-(3,5-dimethylphenoxy)phenyl]prop-2-enoic acid
SMILESCc1cc(C)cc(Oc2ccccc2/C=C\C(=O)O)c1
InChIInChI=1S/C17H16O3/c1-12-9-13(2)11-15(10-12)20-16-6-4-3-5-14(16)7-8-17(18)19/h3-11H,1-2H3,(H,18,19)/b8-7-
InChIKeyUKEFOBQXMYMYDC-FPLPWBNLSA-N
MW268.31 g/mol
LogP4.19
Rot. Bonds4

About (Z)-3-[2-(3,5-dimethylphenoxy)phenyl]prop-2-enoic acid

(Z)-3-[2-(3,5-dimethylphenoxy)phenyl]prop-2-enoic acid (PubChem CID 5399138) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is (Z)-3-[2-(3,5-dimethylphenoxy)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-[2-(3,5-dimethylphenoxy)phenyl]prop-2-enoic acid
PubChem CID5399138
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name(Z)-3-[2-(3,5-dimethylphenoxy)phenyl]prop-2-enoic acid
SMILESCc1cc(C)cc(Oc2ccccc2/C=C\C(=O)O)c1
InChIInChI=1S/C17H16O3/c1-12-9-13(2)11-15(10-12)20-16-6-4-3-5-14(16)7-8-17(18)19/h3-11H,1-2H3,(H,18,19)/b8-7-
InChIKeyUKEFOBQXMYMYDC-FPLPWBNLSA-N
XLogP4.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[2-(3,5-dimethylphenoxy)phenyl]prop-2-enoic acid?
The IUPAC name of (Z)-3-[2-(3,5-dimethylphenoxy)phenyl]prop-2-enoic acid (CID 5399138) is (Z)-3-[2-(3,5-dimethylphenoxy)phenyl]prop-2-enoic acid.
What is the SMILES notation for (Z)-3-[2-(3,5-dimethylphenoxy)phenyl]prop-2-enoic acid?
The canonical SMILES for (Z)-3-[2-(3,5-dimethylphenoxy)phenyl]prop-2-enoic acid is Cc1cc(C)cc(Oc2ccccc2/C=C\C(=O)O)c1.
What is the InChIKey of (Z)-3-[2-(3,5-dimethylphenoxy)phenyl]prop-2-enoic acid?
The InChIKey is UKEFOBQXMYMYDC-FPLPWBNLSA-N. The full InChI is InChI=1S/C17H16O3/c1-12-9-13(2)11-15(10-12)20-16-6-4-3-5-14(16)7-8-17(18)19/h3-11H,1-2H3,(H,18,19)/b8-7-.
What are the key properties of (Z)-3-[2-(3,5-dimethylphenoxy)phenyl]prop-2-enoic acid?
(Z)-3-[2-(3,5-dimethylphenoxy)phenyl]prop-2-enoic acid has a molecular weight of 268.31 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[2-(3,5-dimethylphenoxy)phenyl]prop-2-enoic acid is sourced from PubChem (CID 5399138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).