2-(3-methylpentan-3-yl)-2,3-dihydrochromen-4-one

C15H20O2 — CID 86188407

IUPAC2-(3-methylpentan-3-yl)-2,3-dihydrochromen-4-one
SMILESCCC(C)(CC)C1CC(=O)c2ccccc2O1
InChIInChI=1S/C15H20O2/c1-4-15(3,5-2)14-10-12(16)11-8-6-7-9-13(11)17-14/h6-9,14H,4-5,10H2,1-3H3
InChIKeyVWMBHIUVFWRMJE-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.85
Rot. Bonds3

About 2-(3-methylpentan-3-yl)-2,3-dihydrochromen-4-one

2-(3-methylpentan-3-yl)-2,3-dihydrochromen-4-one (PubChem CID 86188407) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-(3-methylpentan-3-yl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(3-methylpentan-3-yl)-2,3-dihydrochromen-4-one
PubChem CID86188407
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-(3-methylpentan-3-yl)-2,3-dihydrochromen-4-one
SMILESCCC(C)(CC)C1CC(=O)c2ccccc2O1
InChIInChI=1S/C15H20O2/c1-4-15(3,5-2)14-10-12(16)11-8-6-7-9-13(11)17-14/h6-9,14H,4-5,10H2,1-3H3
InChIKeyVWMBHIUVFWRMJE-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-methyl-2,3-dihydrochromen-4-one
CID 142100013
ethane;2-phenyl-2,3-dihydrochromen-4-one
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2-cyclopropyl-2,3-dihydrochromen-4-one
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2-(1-hydroxypropan-2-yl)-2,3-dihydrochromen-4-one
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2-benzyl-2,3-dihydrochromen-4-one
CID 14773508
2-(4-methylphenyl)-2,3-dihydrochromen-4-one
CID 2802466
2-(ethylamino)-3,4-dihydro-2H-1-benzoxepin-5-one
CID 70565657
2-tert-butyl-6-chloro-2,3-dihydrochromen-4-one
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2-naphthalen-1-yl-2,3-dihydrochromen-4-one
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CID 70503591

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpentan-3-yl)-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(3-methylpentan-3-yl)-2,3-dihydrochromen-4-one (CID 86188407) is 2-(3-methylpentan-3-yl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(3-methylpentan-3-yl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(3-methylpentan-3-yl)-2,3-dihydrochromen-4-one is CCC(C)(CC)C1CC(=O)c2ccccc2O1.
What is the InChIKey of 2-(3-methylpentan-3-yl)-2,3-dihydrochromen-4-one?
The InChIKey is VWMBHIUVFWRMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-4-15(3,5-2)14-10-12(16)11-8-6-7-9-13(11)17-14/h6-9,14H,4-5,10H2,1-3H3.
What are the key properties of 2-(3-methylpentan-3-yl)-2,3-dihydrochromen-4-one?
2-(3-methylpentan-3-yl)-2,3-dihydrochromen-4-one has a molecular weight of 232.32 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpentan-3-yl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 86188407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).