CID 175718629

C11H16KO2 — CID 175718629

IUPAC—
SMILESCCCCCc1cc(O)cc(O)c1.[K]
InChIInChI=1S/C11H16O2.K/c1-2-3-4-5-9-6-10(12)8-11(13)7-9;/h6-8,12-13H,2-5H2,1H3;
InChIKeyXCBASZPVZKBHSL-UHFFFAOYSA-N
MW219.34 g/mol
LogP2.45
Rot. Bonds4

About CID 175718629

CID 175718629 (PubChem CID 175718629) has the molecular formula C11H16KO2 and a molecular weight of 219.34 g/mol.

Molecular Properties

Compound NameCID 175718629
PubChem CID175718629
Molecular FormulaC11H16KO2
Molecular Weight219.34 g/mol
Exact Mass219.08
IUPAC Name—
SMILESCCCCCc1cc(O)cc(O)c1.[K]
InChIInChI=1S/C11H16O2.K/c1-2-3-4-5-9-6-10(12)8-11(13)7-9;/h6-8,12-13H,2-5H2,1H3;
InChIKeyXCBASZPVZKBHSL-UHFFFAOYSA-N
XLogP2.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 159617875
5-icosylbenzene-1,3-diol
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3-ethyl-5-pentylphenol
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3,5-dibutylphenol
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5-[(E)-pentadec-8-enyl]benzene-1,3-diol
CID 6916254
1,3-dimethoxy-5-pentylbenzene;5-pentylbenzene-1,3-diol
CID 162222442
5-[18-(3,5-dihydroxyphenyl)octadecyl]benzene-1,3-diol
CID 101039631
5-[6-(3,5-dihydroxyphenyl)hexyl]benzene-1,3-diol
CID 71394044
5-(5,5,5-trideuteriopentyl)benzene-1,3-diol
CID 11286856
3-(3-hydroxy-5-pentylphenoxy)-5-pentylphenol
CID 22559423
3-butyl-5-propylphenol
CID 69337384
5-tridec-8-enylbenzene-1,3-diol
CID 53436336

Frequently Asked Questions

What is the IUPAC name of CID 175718629?
The IUPAC name of CID 175718629 (CID 175718629) is not available.
What is the SMILES notation for CID 175718629?
The canonical SMILES for CID 175718629 is CCCCCc1cc(O)cc(O)c1.[K].
What is the InChIKey of CID 175718629?
The InChIKey is XCBASZPVZKBHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2.K/c1-2-3-4-5-9-6-10(12)8-11(13)7-9;/h6-8,12-13H,2-5H2,1H3;.
What are the key properties of CID 175718629?
CID 175718629 has a molecular weight of 219.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175718629 is sourced from PubChem (CID 175718629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).