(E)-3-(2-ethenyl-4-propan-2-yloxyphenyl)prop-2-enoic acid

C14H16O3 — CID 66845513

IUPAC(E)-3-(2-ethenyl-4-propan-2-yloxyphenyl)prop-2-enoic acid
SMILESC=Cc1cc(OC(C)C)ccc1/C=C/C(=O)O
InChIInChI=1S/C14H16O3/c1-4-11-9-13(17-10(2)3)7-5-12(11)6-8-14(15)16/h4-10H,1H2,2-3H3,(H,15,16)/b8-6+
InChIKeyDSYCJCLZRDTLSL-SOFGYWHQSA-N
MW232.28 g/mol
LogP3.21
Rot. Bonds5

About (E)-3-(2-ethenyl-4-propan-2-yloxyphenyl)prop-2-enoic acid

(E)-3-(2-ethenyl-4-propan-2-yloxyphenyl)prop-2-enoic acid (PubChem CID 66845513) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is (E)-3-(2-ethenyl-4-propan-2-yloxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(2-ethenyl-4-propan-2-yloxyphenyl)prop-2-enoic acid
PubChem CID66845513
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name(E)-3-(2-ethenyl-4-propan-2-yloxyphenyl)prop-2-enoic acid
SMILESC=Cc1cc(OC(C)C)ccc1/C=C/C(=O)O
InChIInChI=1S/C14H16O3/c1-4-11-9-13(17-10(2)3)7-5-12(11)6-8-14(15)16/h4-10H,1H2,2-3H3,(H,15,16)/b8-6+
InChIKeyDSYCJCLZRDTLSL-SOFGYWHQSA-N
XLogP3.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.21
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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Related Compounds

3-[2,4-di(propan-2-yloxy)phenyl]prop-2-enoic acid
CID 70019148
1-ethenyl-4-propan-2-yloxy-2-(trifluoromethyl)benzene
CID 175665810
1-ethenyl-2-fluoro-4-propan-2-yloxybenzene
CID 175665867
3-(4-but-3-en-2-yloxyphenyl)prop-2-enoic acid
CID 76942629
3-ethenyl-4-(2-ethenyl-5-propan-2-yloxyphenyl)phenol
CID 126487461
(E)-3-(2-butan-2-yloxy-5-methoxyphenyl)prop-2-enoic acid
CID 43267855
3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 54041643
(E)-3-(3,5-dibromo-2-propan-2-yloxyphenyl)prop-2-enoic acid
CID 19619468
2-ethenyl-3-propan-2-yloxynaphthalene;2-propan-2-yloxynaphthalene
CID 173224247
(E)-3-[2,5-di(propan-2-yloxy)phenyl]-1-[2,3,6-tri(propan-2-yloxy)phenyl]prop-2-en-1-one
CID 70017849
3-(5-bromo-3-iodo-2-propan-2-yloxyphenyl)prop-2-enoic acid
CID 53401820
(E)-3-[2-(2-ethenylphenyl)phenyl]prop-2-enoic acid
CID 68869387

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-ethenyl-4-propan-2-yloxyphenyl)prop-2-enoic acid?
The IUPAC name of (E)-3-(2-ethenyl-4-propan-2-yloxyphenyl)prop-2-enoic acid (CID 66845513) is (E)-3-(2-ethenyl-4-propan-2-yloxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(2-ethenyl-4-propan-2-yloxyphenyl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(2-ethenyl-4-propan-2-yloxyphenyl)prop-2-enoic acid is C=Cc1cc(OC(C)C)ccc1/C=C/C(=O)O.
What is the InChIKey of (E)-3-(2-ethenyl-4-propan-2-yloxyphenyl)prop-2-enoic acid?
The InChIKey is DSYCJCLZRDTLSL-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H16O3/c1-4-11-9-13(17-10(2)3)7-5-12(11)6-8-14(15)16/h4-10H,1H2,2-3H3,(H,15,16)/b8-6+.
What are the key properties of (E)-3-(2-ethenyl-4-propan-2-yloxyphenyl)prop-2-enoic acid?
(E)-3-(2-ethenyl-4-propan-2-yloxyphenyl)prop-2-enoic acid has a molecular weight of 232.28 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethenyl-4-propan-2-yloxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 66845513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).