7-(2-hydroxypentoxy)chromen-2-one

C14H16O4 — CID 130287251

IUPAC7-(2-hydroxypentoxy)chromen-2-one
SMILESCCCC(O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C14H16O4/c1-2-3-11(15)9-17-12-6-4-10-5-7-14(16)18-13(10)8-12/h4-8,11,15H,2-3,9H2,1H3
InChIKeyIXSMIKKMQALHCJ-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.33
Rot. Bonds5

About 7-(2-hydroxypentoxy)chromen-2-one

7-(2-hydroxypentoxy)chromen-2-one (PubChem CID 130287251) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 7-(2-hydroxypentoxy)chromen-2-one.

Molecular Properties

Compound Name7-(2-hydroxypentoxy)chromen-2-one
PubChem CID130287251
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name7-(2-hydroxypentoxy)chromen-2-one
SMILESCCCC(O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C14H16O4/c1-2-3-11(15)9-17-12-6-4-10-5-7-14(16)18-13(10)8-12/h4-8,11,15H,2-3,9H2,1H3
InChIKeyIXSMIKKMQALHCJ-UHFFFAOYSA-N
XLogP2.33
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(3-hydroxyhexoxy)chromen-2-one
CID 102005167
(2R)-2-hydroxy-3-(2-oxochromen-7-yl)oxypropanal
CID 101223869
7-[(2S,3S,4S)-3-hydroxy-2,4-dimethyl-5-oxoheptoxy]chromen-2-one
CID 101085580
7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one
CID 112775413
[2-hydroxy-4-(2-oxochromen-7-yl)oxybutyl] prop-2-enoate
CID 90188860
N-[2-hydroxy-4-(2-oxochromen-7-yl)oxybutyl]acetamide
CID 58868501
7-[(3S)-4-azido-3-hydroxybutoxy]chromen-2-one
CID 101367747
7-[(2S,6R)-2,6,7-trihydroxy-7-methyl-3-methylideneoctoxy]chromen-2-one
CID 162898481
7-(2-methylprop-2-enoxy)chromen-2-one
CID 875202
(2-oxochromen-7-yl) butanoate
CID 781717
ethyl 2-(2-oxochromen-7-yl)oxyacetate;hydrochloride
CID 88715232
7-[3-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-2-hydroxypropoxy]chromen-2-one
CID 141442294

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxypentoxy)chromen-2-one?
The IUPAC name of 7-(2-hydroxypentoxy)chromen-2-one (CID 130287251) is 7-(2-hydroxypentoxy)chromen-2-one.
What is the SMILES notation for 7-(2-hydroxypentoxy)chromen-2-one?
The canonical SMILES for 7-(2-hydroxypentoxy)chromen-2-one is CCCC(O)COc1ccc2ccc(=O)oc2c1.
What is the InChIKey of 7-(2-hydroxypentoxy)chromen-2-one?
The InChIKey is IXSMIKKMQALHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-2-3-11(15)9-17-12-6-4-10-5-7-14(16)18-13(10)8-12/h4-8,11,15H,2-3,9H2,1H3.
What are the key properties of 7-(2-hydroxypentoxy)chromen-2-one?
7-(2-hydroxypentoxy)chromen-2-one has a molecular weight of 248.28 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxypentoxy)chromen-2-one is sourced from PubChem (CID 130287251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).