(3R,5Z)-6-iodo-6-phenylhexa-1,5-dien-3-ol

C12H13IO — CID 102255977

IUPAC(3R,5Z)-6-iodo-6-phenylhexa-1,5-dien-3-ol
SMILESC=C[C@H](O)C/C=C(\I)c1ccccc1
InChIInChI=1S/C12H13IO/c1-2-11(14)8-9-12(13)10-6-4-3-5-7-10/h2-7,9,11,14H,1,8H2/b12-9-/t11-/m0/s1
InChIKeyVDYFWTDOXWCSLM-AWPPVZKDSA-N
MW300.14 g/mol
LogP3.40
Rot. Bonds4

About (3R,5Z)-6-iodo-6-phenylhexa-1,5-dien-3-ol

(3R,5Z)-6-iodo-6-phenylhexa-1,5-dien-3-ol (PubChem CID 102255977) has the molecular formula C12H13IO and a molecular weight of 300.14 g/mol. Its IUPAC name is (3R,5Z)-6-iodo-6-phenylhexa-1,5-dien-3-ol.

Molecular Properties

Compound Name(3R,5Z)-6-iodo-6-phenylhexa-1,5-dien-3-ol
PubChem CID102255977
Molecular FormulaC12H13IO
Molecular Weight300.14 g/mol
Exact Mass300.00
IUPAC Name(3R,5Z)-6-iodo-6-phenylhexa-1,5-dien-3-ol
SMILESC=C[C@H](O)C/C=C(\I)c1ccccc1
InChIInChI=1S/C12H13IO/c1-2-11(14)8-9-12(13)10-6-4-3-5-7-10/h2-7,9,11,14H,1,8H2/b12-9-/t11-/m0/s1
InChIKeyVDYFWTDOXWCSLM-AWPPVZKDSA-N
XLogP3.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,5Z)-6-iodo-6-phenylhexa-1,5-dien-3-ol?
The IUPAC name of (3R,5Z)-6-iodo-6-phenylhexa-1,5-dien-3-ol (CID 102255977) is (3R,5Z)-6-iodo-6-phenylhexa-1,5-dien-3-ol.
What is the SMILES notation for (3R,5Z)-6-iodo-6-phenylhexa-1,5-dien-3-ol?
The canonical SMILES for (3R,5Z)-6-iodo-6-phenylhexa-1,5-dien-3-ol is C=C[C@H](O)C/C=C(\I)c1ccccc1.
What is the InChIKey of (3R,5Z)-6-iodo-6-phenylhexa-1,5-dien-3-ol?
The InChIKey is VDYFWTDOXWCSLM-AWPPVZKDSA-N. The full InChI is InChI=1S/C12H13IO/c1-2-11(14)8-9-12(13)10-6-4-3-5-7-10/h2-7,9,11,14H,1,8H2/b12-9-/t11-/m0/s1.
What are the key properties of (3R,5Z)-6-iodo-6-phenylhexa-1,5-dien-3-ol?
(3R,5Z)-6-iodo-6-phenylhexa-1,5-dien-3-ol has a molecular weight of 300.14 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5Z)-6-iodo-6-phenylhexa-1,5-dien-3-ol is sourced from PubChem (CID 102255977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).