2-propoxychromen-4-one

C12H12O3 — CID 19038250

IUPAC2-propoxychromen-4-one
SMILESCCCOc1cc(=O)c2ccccc2o1
InChIInChI=1S/C12H12O3/c1-2-7-14-12-8-10(13)9-5-3-4-6-11(9)15-12/h3-6,8H,2,7H2,1H3
InChIKeyPIDJOZYRCZRREK-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.58
Rot. Bonds3

About 2-propoxychromen-4-one

2-propoxychromen-4-one (PubChem CID 19038250) has the molecular formula C12H12O3 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-propoxychromen-4-one.

Molecular Properties

Compound Name2-propoxychromen-4-one
PubChem CID19038250
Molecular FormulaC12H12O3
Molecular Weight204.23 g/mol
Exact Mass204.08
IUPAC Name2-propoxychromen-4-one
SMILESCCCOc1cc(=O)c2ccccc2o1
InChIInChI=1S/C12H12O3/c1-2-7-14-12-8-10(13)9-5-3-4-6-11(9)15-12/h3-6,8H,2,7H2,1H3
InChIKeyPIDJOZYRCZRREK-UHFFFAOYSA-N
XLogP2.58
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-oxochromen-2-yl) acetate
CID 119083337
2-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethoxy]chromen-4-one
CID 172690956
2-(hydroxymethyl)chromen-4-one
CID 12536095
2-(4-nonoxyphenyl)chromen-4-one
CID 10570795
pentyl 4-oxochromene-2-carboxylate
CID 141077364
2-(ethylamino)chromen-4-one
CID 86025135
2-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]chromen-4-one
CID 172773424
methanamine;2-methylchromen-4-one
CID 91311034
7-butoxy-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 118149901
2-(3-chloropropyl)chromen-4-one
CID 11127898
4-ethoxychromen-2-one
CID 688703
7,19-dioctoxy-6,18-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 58411019

Frequently Asked Questions

What is the IUPAC name of 2-propoxychromen-4-one?
The IUPAC name of 2-propoxychromen-4-one (CID 19038250) is 2-propoxychromen-4-one.
What is the SMILES notation for 2-propoxychromen-4-one?
The canonical SMILES for 2-propoxychromen-4-one is CCCOc1cc(=O)c2ccccc2o1.
What is the InChIKey of 2-propoxychromen-4-one?
The InChIKey is PIDJOZYRCZRREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-2-7-14-12-8-10(13)9-5-3-4-6-11(9)15-12/h3-6,8H,2,7H2,1H3.
What are the key properties of 2-propoxychromen-4-one?
2-propoxychromen-4-one has a molecular weight of 204.23 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxychromen-4-one is sourced from PubChem (CID 19038250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).