CID 175667853

C16H15IOPd- — CID 175667853

IUPAC—
SMILESCC1(Cc2[c]cccc2)COc2ccccc21.[I-].[Pd]
InChIInChI=1S/C16H15O.HI.Pd/c1-16(11-13-7-3-2-4-8-13)12-17-15-10-6-5-9-14(15)16;;/h2-7,9-10H,11-12H2,1H3;1H;/p-1
InChIKeyAEICQFAUBOPQEX-UHFFFAOYSA-M
MW456.62 g/mol
LogP0.38
Rot. Bonds2

About CID 175667853

CID 175667853 (PubChem CID 175667853) has the molecular formula C16H15IOPd- and a molecular weight of 456.62 g/mol.

Molecular Properties

Compound NameCID 175667853
PubChem CID175667853
Molecular FormulaC16H15IOPd-
Molecular Weight456.62 g/mol
Exact Mass455.92
IUPAC Name—
SMILESCC1(Cc2[c]cccc2)COc2ccccc21.[I-].[Pd]
InChIInChI=1S/C16H15O.HI.Pd/c1-16(11-13-7-3-2-4-8-13)12-17-15-10-6-5-9-14(15)16;;/h2-7,9-10H,11-12H2,1H3;1H;/p-1
InChIKeyAEICQFAUBOPQEX-UHFFFAOYSA-M
XLogP0.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.62
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 132561835
4-[[(3S)-3-methyl-2H-1-benzofuran-3-yl]methyl]pyridine
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3-ethyl-3-methyl-2H-1-benzofuran
CID 145054107
(3S)-3-[(4-methoxyphenyl)methyl]-3-methyl-2H-1-benzofuran
CID 122398318
3-methyl-3-prop-2-enyl-2H-1-benzofuran
CID 101045859
CID 175667851
CID 175667851
3,5-dimethyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran
CID 132561837
3-methyl-3-[2-(4-methylphenyl)prop-2-enyl]-2H-1-benzofuran
CID 122402252
5-[(3-methyl-2H-1-benzofuran-3-yl)methyl]-2-(2-methylpropyl)-1,3-thiazole
CID 102298320
1',1',3',3'-tetramethylspiro[2H-1-benzofuran-3,2'-cyclobutane]
CID 58564359
(4-methyl-2,3-dihydrochromen-4-yl)methanamine
CID 65408065
3,3-dibromo-2H-1-benzofuran
CID 70451620

Frequently Asked Questions

What is the IUPAC name of CID 175667853?
The IUPAC name of CID 175667853 (CID 175667853) is not available.
What is the SMILES notation for CID 175667853?
The canonical SMILES for CID 175667853 is CC1(Cc2[c]cccc2)COc2ccccc21.[I-].[Pd].
What is the InChIKey of CID 175667853?
The InChIKey is AEICQFAUBOPQEX-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H15O.HI.Pd/c1-16(11-13-7-3-2-4-8-13)12-17-15-10-6-5-9-14(15)16;;/h2-7,9-10H,11-12H2,1H3;1H;/p-1.
What are the key properties of CID 175667853?
CID 175667853 has a molecular weight of 456.62 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175667853 is sourced from PubChem (CID 175667853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).