7-(3-hydroxyhexoxy)chromen-2-one

C15H18O4 — CID 102005167

IUPAC7-(3-hydroxyhexoxy)chromen-2-one
SMILESCCCC(O)CCOc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C15H18O4/c1-2-3-12(16)8-9-18-13-6-4-11-5-7-15(17)19-14(11)10-13/h4-7,10,12,16H,2-3,8-9H2,1H3
InChIKeyMODGDTPZSCZGEO-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.72
Rot. Bonds6

About 7-(3-hydroxyhexoxy)chromen-2-one

7-(3-hydroxyhexoxy)chromen-2-one (PubChem CID 102005167) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 7-(3-hydroxyhexoxy)chromen-2-one.

Molecular Properties

Compound Name7-(3-hydroxyhexoxy)chromen-2-one
PubChem CID102005167
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name7-(3-hydroxyhexoxy)chromen-2-one
SMILESCCCC(O)CCOc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C15H18O4/c1-2-3-12(16)8-9-18-13-6-4-11-5-7-15(17)19-14(11)10-13/h4-7,10,12,16H,2-3,8-9H2,1H3
InChIKeyMODGDTPZSCZGEO-UHFFFAOYSA-N
XLogP2.72
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.72
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-(2-hydroxypentoxy)chromen-2-one
CID 130287251
N-[2-hydroxy-4-(2-oxochromen-7-yl)oxybutyl]acetamide
CID 58868501
7-[(3S)-4-azido-3-hydroxybutoxy]chromen-2-one
CID 101367747
7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one
CID 112775413
[2-hydroxy-4-(2-oxochromen-7-yl)oxybutyl] prop-2-enoate
CID 90188860
7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one
CID 2384022
7-(2-aminoethoxy)chromen-2-one
CID 82506816
7-(8-hydroxyoctoxy)chromen-2-one
CID 11300756
7-(6-hydroxyhexoxy)chromen-2-one
CID 11369034
N-[(2R)-1-hydroxy-5-(2-oxochromen-7-yl)oxypentan-2-yl]propanamide
CID 87516805
7-(3,7-dimethyl-5-oxooct-6-enoxy)chromen-2-one
CID 102247134
ethyl 5-(2-oxochromen-7-yl)oxypentanoate
CID 10401949

Frequently Asked Questions

What is the IUPAC name of 7-(3-hydroxyhexoxy)chromen-2-one?
The IUPAC name of 7-(3-hydroxyhexoxy)chromen-2-one (CID 102005167) is 7-(3-hydroxyhexoxy)chromen-2-one.
What is the SMILES notation for 7-(3-hydroxyhexoxy)chromen-2-one?
The canonical SMILES for 7-(3-hydroxyhexoxy)chromen-2-one is CCCC(O)CCOc1ccc2ccc(=O)oc2c1.
What is the InChIKey of 7-(3-hydroxyhexoxy)chromen-2-one?
The InChIKey is MODGDTPZSCZGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-2-3-12(16)8-9-18-13-6-4-11-5-7-15(17)19-14(11)10-13/h4-7,10,12,16H,2-3,8-9H2,1H3.
What are the key properties of 7-(3-hydroxyhexoxy)chromen-2-one?
7-(3-hydroxyhexoxy)chromen-2-one has a molecular weight of 262.31 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-hydroxyhexoxy)chromen-2-one is sourced from PubChem (CID 102005167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).