(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-ol

C14H11IO — CID 139234487

IUPAC(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-ol
SMILESO/C(=C\C=C1C=CC=C1)c1ccc(I)cc1
InChIInChI=1S/C14H11IO/c15-13-8-6-12(7-9-13)14(16)10-5-11-3-1-2-4-11/h1-10,16H/b14-10-
InChIKeyZXHWSLVQZIPJIV-UVTDQMKNSA-N
MW322.15 g/mol
LogP4.24
Rot. Bonds2

About (Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-ol

(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-ol (PubChem CID 139234487) has the molecular formula C14H11IO and a molecular weight of 322.15 g/mol. Its IUPAC name is (Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-ol.

Molecular Properties

Compound Name(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-ol
PubChem CID139234487
Molecular FormulaC14H11IO
Molecular Weight322.15 g/mol
Exact Mass321.99
IUPAC Name(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-ol
SMILESO/C(=C\C=C1C=CC=C1)c1ccc(I)cc1
InChIInChI=1S/C14H11IO/c15-13-8-6-12(7-9-13)14(16)10-5-11-3-1-2-4-11/h1-10,16H/b14-10-
InChIKeyZXHWSLVQZIPJIV-UVTDQMKNSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-ol?
The IUPAC name of (Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-ol (CID 139234487) is (Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-ol.
What is the SMILES notation for (Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-ol?
The canonical SMILES for (Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-ol is O/C(=C\C=C1C=CC=C1)c1ccc(I)cc1.
What is the InChIKey of (Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-ol?
The InChIKey is ZXHWSLVQZIPJIV-UVTDQMKNSA-N. The full InChI is InChI=1S/C14H11IO/c15-13-8-6-12(7-9-13)14(16)10-5-11-3-1-2-4-11/h1-10,16H/b14-10-.
What are the key properties of (Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-ol?
(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-ol has a molecular weight of 322.15 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-ol is sourced from PubChem (CID 139234487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).