(E)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)prop-2-enenitrile

C15H10INO — CID 126376145

IUPAC(E)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)prop-2-enenitrile
SMILESN#C/C(=C/c1cccc(O)c1)c1ccc(I)cc1
InChIInChI=1S/C15H10INO/c16-14-6-4-12(5-7-14)13(10-17)8-11-2-1-3-15(18)9-11/h1-9,18H/b13-8-
InChIKeyGRSPLOLAYLHKDI-JYRVWZFOSA-N
MW347.16 g/mol
LogP4.06
Rot. Bonds2

About (E)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)prop-2-enenitrile

(E)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)prop-2-enenitrile (PubChem CID 126376145) has the molecular formula C15H10INO and a molecular weight of 347.16 g/mol. Its IUPAC name is (E)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)prop-2-enenitrile
PubChem CID126376145
Molecular FormulaC15H10INO
Molecular Weight347.16 g/mol
Exact Mass346.98
IUPAC Name(E)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)prop-2-enenitrile
SMILESN#C/C(=C/c1cccc(O)c1)c1ccc(I)cc1
InChIInChI=1S/C15H10INO/c16-14-6-4-12(5-7-14)13(10-17)8-11-2-1-3-15(18)9-11/h1-9,18H/b13-8-
InChIKeyGRSPLOLAYLHKDI-JYRVWZFOSA-N
XLogP4.06
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-hydroxy-3-methoxyphenyl)-2-(4-iodophenyl)prop-2-enenitrile
CID 126373200
(E)-3-(3-iodophenyl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 126349888
(E)-3-(3,5-dibromo-4-phenylmethoxyphenyl)-2-(4-iodophenyl)prop-2-enenitrile
CID 126377805
3-(4-chlorophenyl)-2-(3-hydroxyphenyl)prop-2-enenitrile
CID 66746876
(E)-2-(4-iodophenyl)-3-(4-nitrophenyl)prop-2-enenitrile
CID 2214634
2-(4-iodophenyl)-3-(4-nitrophenyl)prop-2-enenitrile
CID 2959641
(Z)-2-(4-iodophenyl)-3-(4-nitrophenyl)prop-2-enenitrile
CID 2214633
(E)-3-(3-hydroxyphenyl)-1-(4-iodophenyl)prop-2-en-1-one
CID 9448445
(Z)-2,3-bis(3-methoxyphenyl)prop-2-enenitrile
CID 10945343
(E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-2-(4-iodophenyl)prop-2-enenitrile
CID 126373754
(Z)-3-(3,4-dihydroxyphenyl)-2-phenylprop-2-enenitrile
CID 22080485
(E)-2,3-bis(3-chlorophenyl)prop-2-enenitrile
CID 696997

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)prop-2-enenitrile?
The IUPAC name of (E)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)prop-2-enenitrile (CID 126376145) is (E)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)prop-2-enenitrile.
What is the SMILES notation for (E)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)prop-2-enenitrile?
The canonical SMILES for (E)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)prop-2-enenitrile is N#C/C(=C/c1cccc(O)c1)c1ccc(I)cc1.
What is the InChIKey of (E)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)prop-2-enenitrile?
The InChIKey is GRSPLOLAYLHKDI-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H10INO/c16-14-6-4-12(5-7-14)13(10-17)8-11-2-1-3-15(18)9-11/h1-9,18H/b13-8-.
What are the key properties of (E)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)prop-2-enenitrile?
(E)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)prop-2-enenitrile has a molecular weight of 347.16 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)prop-2-enenitrile is sourced from PubChem (CID 126376145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).