CID 149434797

C15H10BIO — CID 149434797

IUPAC—
SMILES[B]c1cc(I)ccc1/C=C/C(=O)c1ccccc1
InChIInChI=1S/C15H10BIO/c16-14-10-13(17)8-6-11(14)7-9-15(18)12-4-2-1-3-5-12/h1-10H/b9-7+
InChIKeyHSDJNKVOSZHBSM-VQHVLOKHSA-N
MW343.96 g/mol
LogP2.98
Rot. Bonds3

About CID 149434797

CID 149434797 (PubChem CID 149434797) has the molecular formula C15H10BIO and a molecular weight of 343.96 g/mol.

Molecular Properties

Compound NameCID 149434797
PubChem CID149434797
Molecular FormulaC15H10BIO
Molecular Weight343.96 g/mol
Exact Mass343.99
IUPAC Name—
SMILES[B]c1cc(I)ccc1/C=C/C(=O)c1ccccc1
InChIInChI=1S/C15H10BIO/c16-14-10-13(17)8-6-11(14)7-9-15(18)12-4-2-1-3-5-12/h1-10H/b9-7+
InChIKeyHSDJNKVOSZHBSM-VQHVLOKHSA-N
XLogP2.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.96
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-phenyl-3-(2,4,5-trihydroxyphenyl)prop-2-en-1-one
CID 146448432
(E)-3-(2,4-diiodophenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 19824534
(E)-1-(4-iodophenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 6045199
3-(2-amino-4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 174590880
3-(2-hydroxy-4-methylphenyl)-1-phenylprop-2-en-1-one
CID 67082787
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
3-(2-ethenylphenyl)-1-phenylprop-2-en-1-one
CID 68920367
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
3-(2,5-dimethylphenyl)-1-(4-iodophenyl)prop-2-en-1-one
CID 5186975
3-(2,3-dichlorophenyl)-1-(4-iodophenyl)prop-2-en-1-one
CID 3472097
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
3-[4-(dimethylamino)-2-hydroxyphenyl]-1-phenylprop-2-en-1-one
CID 172832773

Frequently Asked Questions

What is the IUPAC name of CID 149434797?
The IUPAC name of CID 149434797 (CID 149434797) is not available.
What is the SMILES notation for CID 149434797?
The canonical SMILES for CID 149434797 is [B]c1cc(I)ccc1/C=C/C(=O)c1ccccc1.
What is the InChIKey of CID 149434797?
The InChIKey is HSDJNKVOSZHBSM-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H10BIO/c16-14-10-13(17)8-6-11(14)7-9-15(18)12-4-2-1-3-5-12/h1-10H/b9-7+.
What are the key properties of CID 149434797?
CID 149434797 has a molecular weight of 343.96 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 149434797 is sourced from PubChem (CID 149434797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).