5,7-dipropylchromen-2-one

C15H18O2 — CID 174532195

IUPAC5,7-dipropylchromen-2-one
SMILESCCCc1cc(CCC)c2ccc(=O)oc2c1
InChIInChI=1S/C15H18O2/c1-3-5-11-9-12(6-4-2)13-7-8-15(16)17-14(13)10-11/h7-10H,3-6H2,1-2H3
InChIKeyWCNGTSPQDHCOHL-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.70
Rot. Bonds4

About 5,7-dipropylchromen-2-one

5,7-dipropylchromen-2-one (PubChem CID 174532195) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5,7-dipropylchromen-2-one.

Molecular Properties

Compound Name5,7-dipropylchromen-2-one
PubChem CID174532195
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name5,7-dipropylchromen-2-one
SMILESCCCc1cc(CCC)c2ccc(=O)oc2c1
InChIInChI=1S/C15H18O2/c1-3-5-11-9-12(6-4-2)13-7-8-15(16)17-14(13)10-11/h7-10H,3-6H2,1-2H3
InChIKeyWCNGTSPQDHCOHL-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

Computed Properties (RDKit)

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

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Related Compounds

7-[(4-bromophenyl)methoxy]-4-propylchromen-2-one
CID 22310572
5,6-dipropylpyran-2-one
CID 15445692
7-(3-oxobutan-2-yloxy)-4-propylchromen-2-one
CID 3729942
7-[(2S)-3-oxobutan-2-yl]oxy-4-propylchromen-2-one
CID 701574
4-propyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one
CID 1325534
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
7-bromo-4-pentylchromen-2-one
CID 87859021
7-hydroxy-4-octylchromen-2-one
CID 139771377
7-hydroxy-6-methoxy-4-propylchromen-2-one
CID 125486697
7-amino-4-heptadecylchromen-2-one
CID 170453027
7-(naphthalen-1-ylmethoxy)-4-propylchromen-2-one
CID 7917681
7-(6-chloro-2-methylpyrimidin-4-yl)oxy-4-propylchromen-2-one
CID 133280797

Frequently Asked Questions

What is the IUPAC name of 5,7-dipropylchromen-2-one?
The IUPAC name of 5,7-dipropylchromen-2-one (CID 174532195) is 5,7-dipropylchromen-2-one.
What is the SMILES notation for 5,7-dipropylchromen-2-one?
The canonical SMILES for 5,7-dipropylchromen-2-one is CCCc1cc(CCC)c2ccc(=O)oc2c1.
What is the InChIKey of 5,7-dipropylchromen-2-one?
The InChIKey is WCNGTSPQDHCOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-3-5-11-9-12(6-4-2)13-7-8-15(16)17-14(13)10-11/h7-10H,3-6H2,1-2H3.
What are the key properties of 5,7-dipropylchromen-2-one?
5,7-dipropylchromen-2-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 5,7-dipropylchromen-2-one is sourced from PubChem (CID 174532195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).