CID 153384878

C15H22IO2- — CID 153384878

IUPAC—
SMILESCC(C)(C)c1cc(C(=O)[IH-])cc(C(C)(C)C)c1O
InChIInChI=1S/C15H21IO2/c1-14(2,3)10-7-9(13(16)18)8-11(12(10)17)15(4,5)6/h7-8,17H,1-6H3/q-1
InChIKeyHDKAPQGBZDAXGV-UHFFFAOYSA-N
MW361.24 g/mol
LogP0.41
Rot. Bonds1

About CID 153384878

CID 153384878 (PubChem CID 153384878) has the molecular formula C15H22IO2- and a molecular weight of 361.24 g/mol.

Molecular Properties

Compound NameCID 153384878
PubChem CID153384878
Molecular FormulaC15H22IO2-
Molecular Weight361.24 g/mol
Exact Mass361.07
IUPAC Name—
SMILESCC(C)(C)c1cc(C(=O)[IH-])cc(C(C)(C)C)c1O
InChIInChI=1S/C15H21IO2/c1-14(2,3)10-7-9(13(16)18)8-11(12(10)17)15(4,5)6/h7-8,17H,1-6H3/q-1
InChIKeyHDKAPQGBZDAXGV-UHFFFAOYSA-N
XLogP0.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2,6-ditert-butyl-4-(1-hydroxyethenyl)phenol
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1,8-bis(3,5-ditert-butyl-4-hydroxyphenyl)octane-1,8-dione
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CID 57066094
(3,5-ditert-butyl-4-hydroxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 25142145
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CID 71441710
1-hydroxypropan-2-yl 3,5-ditert-butyl-4-hydroxybenzoate
CID 22408801
1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-ethylsulfanylethanone
CID 21480176
methyl 3-tert-butyl-5-[5-(3-tert-butyl-2-hydroxy-5-methoxycarbonylphenyl)-2,5-dimethylhexan-2-yl]-4-hydroxybenzoate
CID 146363427
6-(3,5-ditert-butyl-4-hydroxybenzoyl)oxyhexyl 3,5-ditert-butyl-4-hydroxybenzoate
CID 15333522

Frequently Asked Questions

What is the IUPAC name of CID 153384878?
The IUPAC name of CID 153384878 (CID 153384878) is not available.
What is the SMILES notation for CID 153384878?
The canonical SMILES for CID 153384878 is CC(C)(C)c1cc(C(=O)[IH-])cc(C(C)(C)C)c1O.
What is the InChIKey of CID 153384878?
The InChIKey is HDKAPQGBZDAXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IO2/c1-14(2,3)10-7-9(13(16)18)8-11(12(10)17)15(4,5)6/h7-8,17H,1-6H3/q-1.
What are the key properties of CID 153384878?
CID 153384878 has a molecular weight of 361.24 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153384878 is sourced from PubChem (CID 153384878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).