2-butyl-3-methylchromen-4-one

C14H16O2 — CID 174299593

IUPAC2-butyl-3-methylchromen-4-one
SMILESCCCCc1oc2ccccc2c(=O)c1C
InChIInChI=1S/C14H16O2/c1-3-4-8-12-10(2)14(15)11-7-5-6-9-13(11)16-12/h5-7,9H,3-4,8H2,1-2H3
InChIKeyJTPMHWMDGBSCSV-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.44
Rot. Bonds3

About 2-butyl-3-methylchromen-4-one

2-butyl-3-methylchromen-4-one (PubChem CID 174299593) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-butyl-3-methylchromen-4-one.

Molecular Properties

Compound Name2-butyl-3-methylchromen-4-one
PubChem CID174299593
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name2-butyl-3-methylchromen-4-one
SMILESCCCCc1oc2ccccc2c(=O)c1C
InChIInChI=1S/C14H16O2/c1-3-4-8-12-10(2)14(15)11-7-5-6-9-13(11)16-12/h5-7,9H,3-4,8H2,1-2H3
InChIKeyJTPMHWMDGBSCSV-UHFFFAOYSA-N
XLogP3.44
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-butyl-1-benzofuran-3-yl)methanamine
CID 43492779
2-hexyl-3-phenylselanylchromen-4-one
CID 154714247
2-[(4-bromophenyl)methyl]-3-methylchromen-4-one
CID 154713635
propane;xanthen-9-one
CID 90876458
2-ethyl-3-pentyl-1-benzofuran
CID 70503240
2-pentyl-1-benzofuran-3-carbaldehyde
CID 87462287
2-butyl-N-methyl-1-benzofuran-3-carboxamide
CID 141114520
3-bromo-2-heptyl-1-benzofuran
CID 11843101
3-bromo-2-octyl-1-benzofuran
CID 102256130
9-butylbenzo[c]chromen-6-one
CID 102375140
bis(2-hexyl-1-benzofuran-3-yl)methanone
CID 102288992
CID 158430443
CID 158430443

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-methylchromen-4-one?
The IUPAC name of 2-butyl-3-methylchromen-4-one (CID 174299593) is 2-butyl-3-methylchromen-4-one.
What is the SMILES notation for 2-butyl-3-methylchromen-4-one?
The canonical SMILES for 2-butyl-3-methylchromen-4-one is CCCCc1oc2ccccc2c(=O)c1C.
What is the InChIKey of 2-butyl-3-methylchromen-4-one?
The InChIKey is JTPMHWMDGBSCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-3-4-8-12-10(2)14(15)11-7-5-6-9-13(11)16-12/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of 2-butyl-3-methylchromen-4-one?
2-butyl-3-methylchromen-4-one has a molecular weight of 216.28 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-methylchromen-4-one is sourced from PubChem (CID 174299593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).