CID 175980363

C26H22KO — CID 175980363

IUPAC—
SMILESCCc1c(O)cc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.[K]
InChIInChI=1S/C26H22O.K/c1-2-22-24(27)18-23(19-12-6-3-7-13-19)26(21-16-10-5-11-17-21)25(22)20-14-8-4-9-15-20;/h3-18,27H,2H2,1H3;
InChIKeyIHYBCFVXMHLNHF-UHFFFAOYSA-N
MW389.56 g/mol
LogP6.57
Rot. Bonds4

About CID 175980363

CID 175980363 (PubChem CID 175980363) has the molecular formula C26H22KO and a molecular weight of 389.56 g/mol.

Molecular Properties

Compound NameCID 175980363
PubChem CID175980363
Molecular FormulaC26H22KO
Molecular Weight389.56 g/mol
Exact Mass389.13
IUPAC Name—
SMILESCCc1c(O)cc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.[K]
InChIInChI=1S/C26H22O.K/c1-2-22-24(27)18-23(19-12-6-3-7-13-19)26(21-16-10-5-11-17-21)25(22)20-14-8-4-9-15-20;/h3-18,27H,2H2,1H3;
InChIKeyIHYBCFVXMHLNHF-UHFFFAOYSA-N
XLogP6.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.56
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-(2-hydroxyphenyl)-3,4,5-triphenylphenol
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CID 101303207
2,3-diethyl-1,4-diphenylbenzene
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2-ethyl-3-phenylphenol;formaldehyde
CID 175490561
4-ethyl-5-[2-(2-hydroxyethoxy)ethyl]-6-phenylbenzene-1,3-diol
CID 23147494
4-ethyl-5-(2-methoxyethyl)-6-phenylbenzene-1,3-diol
CID 23147068
2,3,6-triethyl-5-phenylphenol
CID 101302393
4-(4-hydroxy-3-methylphenyl)-2-methyl-3,5-diphenylphenol
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methyl 2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)acetate
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Frequently Asked Questions

What is the IUPAC name of CID 175980363?
The IUPAC name of CID 175980363 (CID 175980363) is not available.
What is the SMILES notation for CID 175980363?
The canonical SMILES for CID 175980363 is CCc1c(O)cc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.[K].
What is the InChIKey of CID 175980363?
The InChIKey is IHYBCFVXMHLNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O.K/c1-2-22-24(27)18-23(19-12-6-3-7-13-19)26(21-16-10-5-11-17-21)25(22)20-14-8-4-9-15-20;/h3-18,27H,2H2,1H3;.
What are the key properties of CID 175980363?
CID 175980363 has a molecular weight of 389.56 g/mol, XLogP of 6.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175980363 is sourced from PubChem (CID 175980363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).