2-butyl-6,8-dimethylchromen-4-one

C15H18O2 — CID 134911457

IUPAC2-butyl-6,8-dimethylchromen-4-one
SMILESCCCCc1cc(=O)c2cc(C)cc(C)c2o1
InChIInChI=1S/C15H18O2/c1-4-5-6-12-9-14(16)13-8-10(2)7-11(3)15(13)17-12/h7-9H,4-6H2,1-3H3
InChIKeyMEGKOVJBPTYHAJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.75
Rot. Bonds3

About 2-butyl-6,8-dimethylchromen-4-one

2-butyl-6,8-dimethylchromen-4-one (PubChem CID 134911457) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-butyl-6,8-dimethylchromen-4-one.

Molecular Properties

Compound Name2-butyl-6,8-dimethylchromen-4-one
PubChem CID134911457
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name2-butyl-6,8-dimethylchromen-4-one
SMILESCCCCc1cc(=O)c2cc(C)cc(C)c2o1
InChIInChI=1S/C15H18O2/c1-4-5-6-12-9-14(16)13-8-10(2)7-11(3)15(13)17-12/h7-9H,4-6H2,1-3H3
InChIKeyMEGKOVJBPTYHAJ-UHFFFAOYSA-N
XLogP3.75
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(8-bromo-6-methyl-4-oxochromen-2-yl)ethyl formate
CID 174464243
2-(3-amino-4-methylphenyl)-6,8-dimethylchromen-4-one
CID 82046563
2-heptadecyl-5,7-dihydroxy-6,8-dimethylchromen-4-one
CID 135353761
4,6-dimethyl-2-propyl-1-benzofuran
CID 146227493
methane;1,7,9-trimethyl-3-[(1,7,9-trimethyl-5,11-dioxochromeno[4,3-c]chromen-3-yl)methyl]chromeno[4,3-c]chromene-5,11-dione
CID 161443528
2-butyl-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
CID 18790901
4-butyl-6-methylchromen-2-one
CID 6613364
N-[4-(diethylamino)butyl]-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787093

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6,8-dimethylchromen-4-one?
The IUPAC name of 2-butyl-6,8-dimethylchromen-4-one (CID 134911457) is 2-butyl-6,8-dimethylchromen-4-one.
What is the SMILES notation for 2-butyl-6,8-dimethylchromen-4-one?
The canonical SMILES for 2-butyl-6,8-dimethylchromen-4-one is CCCCc1cc(=O)c2cc(C)cc(C)c2o1.
What is the InChIKey of 2-butyl-6,8-dimethylchromen-4-one?
The InChIKey is MEGKOVJBPTYHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-4-5-6-12-9-14(16)13-8-10(2)7-11(3)15(13)17-12/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-butyl-6,8-dimethylchromen-4-one?
2-butyl-6,8-dimethylchromen-4-one has a molecular weight of 230.31 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6,8-dimethylchromen-4-one is sourced from PubChem (CID 134911457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).