(E)-3-[4-(4-iodophenoxy)phenyl]prop-2-enoic acid

C15H11IO3 — CID 43327337

IUPAC(E)-3-[4-(4-iodophenoxy)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(Oc2ccc(I)cc2)cc1
InChIInChI=1S/C15H11IO3/c16-12-4-8-14(9-5-12)19-13-6-1-11(2-7-13)3-10-15(17)18/h1-10H,(H,17,18)/b10-3+
InChIKeyFBRGCJDZBUZGTE-XCVCLJGOSA-N
MW366.15 g/mol
LogP4.18
Rot. Bonds4

About (E)-3-[4-(4-iodophenoxy)phenyl]prop-2-enoic acid

(E)-3-[4-(4-iodophenoxy)phenyl]prop-2-enoic acid (PubChem CID 43327337) has the molecular formula C15H11IO3 and a molecular weight of 366.15 g/mol. Its IUPAC name is (E)-3-[4-(4-iodophenoxy)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[4-(4-iodophenoxy)phenyl]prop-2-enoic acid
PubChem CID43327337
Molecular FormulaC15H11IO3
Molecular Weight366.15 g/mol
Exact Mass365.98
IUPAC Name(E)-3-[4-(4-iodophenoxy)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(Oc2ccc(I)cc2)cc1
InChIInChI=1S/C15H11IO3/c16-12-4-8-14(9-5-12)19-13-6-1-11(2-7-13)3-10-15(17)18/h1-10H,(H,17,18)/b10-3+
InChIKeyFBRGCJDZBUZGTE-XCVCLJGOSA-N
XLogP4.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.15
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(4-methoxyphenoxy)phenyl]prop-2-enoic acid
CID 20993961
(E)-3-[4-[(4-iodophenyl)methoxy]phenyl]prop-2-enoic acid
CID 17245134
(E)-3-[4-(4-phenoxybenzoyl)phenyl]prop-2-enoic acid
CID 11501077
3-[4-(3,5-dimethylphenoxy)phenyl]prop-2-enoic acid
CID 20988627
3-[4-(4-propylphenoxy)phenyl]prop-2-enoic acid
CID 20989085
(E)-3-[4-(3-bromophenoxy)phenyl]prop-2-enoic acid
CID 29058852
3-[4-(4-chloro-3,5-dimethylphenoxy)phenyl]prop-2-enoic acid
CID 22683399
azane;3-(4-methoxyphenyl)prop-2-enoic acid
CID 69170701
CID 69129935
CID 69129935
(E)-3-[4-[(4-iodobenzoyl)amino]phenyl]prop-2-enoic acid
CID 43411611
(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid
CID 735857
3-(4-phenoxyphenyl)prop-2-enoyl chloride
CID 142711517

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(4-iodophenoxy)phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[4-(4-iodophenoxy)phenyl]prop-2-enoic acid (CID 43327337) is (E)-3-[4-(4-iodophenoxy)phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[4-(4-iodophenoxy)phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[4-(4-iodophenoxy)phenyl]prop-2-enoic acid is O=C(O)/C=C/c1ccc(Oc2ccc(I)cc2)cc1.
What is the InChIKey of (E)-3-[4-(4-iodophenoxy)phenyl]prop-2-enoic acid?
The InChIKey is FBRGCJDZBUZGTE-XCVCLJGOSA-N. The full InChI is InChI=1S/C15H11IO3/c16-12-4-8-14(9-5-12)19-13-6-1-11(2-7-13)3-10-15(17)18/h1-10H,(H,17,18)/b10-3+.
What are the key properties of (E)-3-[4-(4-iodophenoxy)phenyl]prop-2-enoic acid?
(E)-3-[4-(4-iodophenoxy)phenyl]prop-2-enoic acid has a molecular weight of 366.15 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(4-iodophenoxy)phenyl]prop-2-enoic acid is sourced from PubChem (CID 43327337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).