6-chloro-4-oxo-7-(oxolan-2-ylmethoxy)chromene-3-carbaldehyde

C15H13ClO5 — CID 82027210

IUPAC6-chloro-4-oxo-7-(oxolan-2-ylmethoxy)chromene-3-carbaldehyde
SMILESO=Cc1coc2cc(OCC3CCCO3)c(Cl)cc2c1=O
InChIInChI=1S/C15H13ClO5/c16-12-4-11-13(20-7-9(6-17)15(11)18)5-14(12)21-8-10-2-1-3-19-10/h4-7,10H,1-3,8H2
InChIKeyLUANMUIRENYCLH-UHFFFAOYSA-N
MW308.72 g/mol
LogP2.82
Rot. Bonds4

About 6-chloro-4-oxo-7-(oxolan-2-ylmethoxy)chromene-3-carbaldehyde

6-chloro-4-oxo-7-(oxolan-2-ylmethoxy)chromene-3-carbaldehyde (PubChem CID 82027210) has the molecular formula C15H13ClO5 and a molecular weight of 308.72 g/mol. Its IUPAC name is 6-chloro-4-oxo-7-(oxolan-2-ylmethoxy)chromene-3-carbaldehyde.

Molecular Properties

Compound Name6-chloro-4-oxo-7-(oxolan-2-ylmethoxy)chromene-3-carbaldehyde
PubChem CID82027210
Molecular FormulaC15H13ClO5
Molecular Weight308.72 g/mol
Exact Mass308.05
IUPAC Name6-chloro-4-oxo-7-(oxolan-2-ylmethoxy)chromene-3-carbaldehyde
SMILESO=Cc1coc2cc(OCC3CCCO3)c(Cl)cc2c1=O
InChIInChI=1S/C15H13ClO5/c16-12-4-11-13(20-7-9(6-17)15(11)18)5-14(12)21-8-10-2-1-3-19-10/h4-7,10H,1-3,8H2
InChIKeyLUANMUIRENYCLH-UHFFFAOYSA-N
XLogP2.82
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,4,5-trichlorophenoxy)methyl]oxolane
CID 112779327
2-[5-chloro-6-(oxolan-2-ylmethoxy)-1,2-benzoxazol-3-yl]ethanol
CID 82027276
2-(oxolan-2-ylmethoxy)-5-phenylbenzaldehyde
CID 54795080
2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 71627927
(2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 97170620
3-fluoro-4-(oxolan-2-ylmethoxy)benzaldehyde
CID 43826140
3,5-dimethyl-4-(oxolan-2-ylmethoxy)benzenesulfonyl chloride
CID 60725349
5-(oxolan-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65454257
(1S)-1-[3-chloro-4-(oxan-2-ylmethoxy)phenyl]ethanol
CID 113389965
2-[(3-chloro-2-nitrophenoxy)methyl]oxane
CID 113458787
2-[[2-(bromomethyl)-4,6-dichlorophenoxy]methyl]oxane
CID 43592015
3-chloro-2-(oxolan-2-ylmethoxy)aniline
CID 43187374

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-oxo-7-(oxolan-2-ylmethoxy)chromene-3-carbaldehyde?
The IUPAC name of 6-chloro-4-oxo-7-(oxolan-2-ylmethoxy)chromene-3-carbaldehyde (CID 82027210) is 6-chloro-4-oxo-7-(oxolan-2-ylmethoxy)chromene-3-carbaldehyde.
What is the SMILES notation for 6-chloro-4-oxo-7-(oxolan-2-ylmethoxy)chromene-3-carbaldehyde?
The canonical SMILES for 6-chloro-4-oxo-7-(oxolan-2-ylmethoxy)chromene-3-carbaldehyde is O=Cc1coc2cc(OCC3CCCO3)c(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-4-oxo-7-(oxolan-2-ylmethoxy)chromene-3-carbaldehyde?
The InChIKey is LUANMUIRENYCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO5/c16-12-4-11-13(20-7-9(6-17)15(11)18)5-14(12)21-8-10-2-1-3-19-10/h4-7,10H,1-3,8H2.
What are the key properties of 6-chloro-4-oxo-7-(oxolan-2-ylmethoxy)chromene-3-carbaldehyde?
6-chloro-4-oxo-7-(oxolan-2-ylmethoxy)chromene-3-carbaldehyde has a molecular weight of 308.72 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-oxo-7-(oxolan-2-ylmethoxy)chromene-3-carbaldehyde is sourced from PubChem (CID 82027210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).