2,6-dipropylchromen-4-one

C15H18O2 — CID 58402381

IUPAC2,6-dipropylchromen-4-one
SMILESCCCc1ccc2oc(CCC)cc(=O)c2c1
InChIInChI=1S/C15H18O2/c1-3-5-11-7-8-15-13(9-11)14(16)10-12(17-15)6-4-2/h7-10H,3-6H2,1-2H3
InChIKeyKCMPNHCFKVNKSV-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.70
Rot. Bonds4

About 2,6-dipropylchromen-4-one

2,6-dipropylchromen-4-one (PubChem CID 58402381) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2,6-dipropylchromen-4-one.

Molecular Properties

Compound Name2,6-dipropylchromen-4-one
PubChem CID58402381
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name2,6-dipropylchromen-4-one
SMILESCCCc1ccc2oc(CCC)cc(=O)c2c1
InChIInChI=1S/C15H18O2/c1-3-5-11-7-8-15-13(9-11)14(16)10-12(17-15)6-4-2/h7-10H,3-6H2,1-2H3
InChIKeyKCMPNHCFKVNKSV-UHFFFAOYSA-N
XLogP3.70
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,18-dipropyl-10,14-dioxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 132605895
6-hydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one
CID 162857287
6-ethyl-2-phenylchromen-4-one
CID 10999458
2-(3,4-dihydroxyphenyl)-3-hydroxy-6-propylchromen-4-one
CID 66521692
(4-oxo-2-propylchromen-7-yl) sulfamate
CID 11087274
[2-oxo-2-(4-propylphenyl)ethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8729253
3-ethyl-5-propyl-1,3-benzoxazol-2-one
CID 70297213
6,18-dipropyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
CID 70938401
6-bromo-2-(chloromethyl)chromen-4-one
CID 126484643
[3-(methoxymethyl)-5-propyl-1-benzofuran-2-yl]methanamine
CID 114377191
2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]chromen-4-one
CID 162852587
2-(7-hydroxypentadecyl)chromen-4-one
CID 175037169

Frequently Asked Questions

What is the IUPAC name of 2,6-dipropylchromen-4-one?
The IUPAC name of 2,6-dipropylchromen-4-one (CID 58402381) is 2,6-dipropylchromen-4-one.
What is the SMILES notation for 2,6-dipropylchromen-4-one?
The canonical SMILES for 2,6-dipropylchromen-4-one is CCCc1ccc2oc(CCC)cc(=O)c2c1.
What is the InChIKey of 2,6-dipropylchromen-4-one?
The InChIKey is KCMPNHCFKVNKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-3-5-11-7-8-15-13(9-11)14(16)10-12(17-15)6-4-2/h7-10H,3-6H2,1-2H3.
What are the key properties of 2,6-dipropylchromen-4-one?
2,6-dipropylchromen-4-one has a molecular weight of 230.31 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dipropylchromen-4-one is sourced from PubChem (CID 58402381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).