6-hexoxy-2H-chromene-3-carbaldehyde

C16H20O3 — CID 14971262

IUPAC6-hexoxy-2H-chromene-3-carbaldehyde
SMILESCCCCCCOc1ccc2c(c1)C=C(C=O)CO2
InChIInChI=1S/C16H20O3/c1-2-3-4-5-8-18-15-6-7-16-14(10-15)9-13(11-17)12-19-16/h6-7,9-11H,2-5,8,12H2,1H3
InChIKeyGCODYDYKFGQEGB-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.62
Rot. Bonds7

About 6-hexoxy-2H-chromene-3-carbaldehyde

6-hexoxy-2H-chromene-3-carbaldehyde (PubChem CID 14971262) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 6-hexoxy-2H-chromene-3-carbaldehyde.

Molecular Properties

Compound Name6-hexoxy-2H-chromene-3-carbaldehyde
PubChem CID14971262
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name6-hexoxy-2H-chromene-3-carbaldehyde
SMILESCCCCCCOc1ccc2c(c1)C=C(C=O)CO2
InChIInChI=1S/C16H20O3/c1-2-3-4-5-8-18-15-6-7-16-14(10-15)9-13(11-17)12-19-16/h6-7,9-11H,2-5,8,12H2,1H3
InChIKeyGCODYDYKFGQEGB-UHFFFAOYSA-N
XLogP3.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(3-phenylpropoxy)-2H-chromene-3-carbaldehyde
CID 14971264
4-icosoxybenzaldehyde
CID 23127488
7-[(5-ethyl-4-methylthiophen-2-yl)methoxy]-2H-chromene-3-carbaldehyde
CID 58439099
4-hexoxy-2-hydroxybenzaldehyde
CID 13147236
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
6-nonoxy-1,3-benzodioxole-5-carbaldehyde
CID 63529679
(4-decoxyphenyl) formate
CID 54244817
3,5-didodecoxybenzaldehyde
CID 23127431
4-(4-decoxyphenoxy)benzaldehyde
CID 22713263
5-butoxy-3H-1,2-benzodioxole
CID 88819864
ethanol;4-octadecoxybenzaldehyde
CID 158692714

Frequently Asked Questions

What is the IUPAC name of 6-hexoxy-2H-chromene-3-carbaldehyde?
The IUPAC name of 6-hexoxy-2H-chromene-3-carbaldehyde (CID 14971262) is 6-hexoxy-2H-chromene-3-carbaldehyde.
What is the SMILES notation for 6-hexoxy-2H-chromene-3-carbaldehyde?
The canonical SMILES for 6-hexoxy-2H-chromene-3-carbaldehyde is CCCCCCOc1ccc2c(c1)C=C(C=O)CO2.
What is the InChIKey of 6-hexoxy-2H-chromene-3-carbaldehyde?
The InChIKey is GCODYDYKFGQEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-2-3-4-5-8-18-15-6-7-16-14(10-15)9-13(11-17)12-19-16/h6-7,9-11H,2-5,8,12H2,1H3.
What are the key properties of 6-hexoxy-2H-chromene-3-carbaldehyde?
6-hexoxy-2H-chromene-3-carbaldehyde has a molecular weight of 260.33 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexoxy-2H-chromene-3-carbaldehyde is sourced from PubChem (CID 14971262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).