7H-chromene-8-carbaldehyde

C10H8O2 — CID 174561292

IUPAC7H-chromene-8-carbaldehyde
SMILESO=CC1=C2OC=CC=C2C=CC1
InChIInChI=1S/C10H8O2/c11-7-9-4-1-3-8-5-2-6-12-10(8)9/h1-3,5-7H,4H2
InChIKeyLNPCUUSLCOERQZ-UHFFFAOYSA-N
MW160.17 g/mol
LogP1.87
Rot. Bonds1

About 7H-chromene-8-carbaldehyde

7H-chromene-8-carbaldehyde (PubChem CID 174561292) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 7H-chromene-8-carbaldehyde.

Molecular Properties

Compound Name7H-chromene-8-carbaldehyde
PubChem CID174561292
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Name7H-chromene-8-carbaldehyde
SMILESO=CC1=C2OC=CC=C2C=CC1
InChIInChI=1S/C10H8O2/c11-7-9-4-1-3-8-5-2-6-12-10(8)9/h1-3,5-7H,4H2
InChIKeyLNPCUUSLCOERQZ-UHFFFAOYSA-N
XLogP1.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Chromen-6-one
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CID 129716310
2,6-Dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one
CID 91119984
Pyrano[3,2-c]pyran-5(4h)-one
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Pyrano[3,2-c]pyran-5(4h)-one
CID 145721520
4aH-benzo[d][1]benzoxepin-11-one
CID 20357463
8aH-chromene-4-carbaldehyde
CID 57302160
5-Methoxy-2,4-dimethylbenzene-3-ide-1-carbaldehyde;yttrium
CID 57756015
2-Ethoxybenzene-5-ide-1-carbaldehyde;yttrium
CID 59106148
2-Ethoxybenzene-5-ide-1-carbaldehyde;yttrium
CID 59106148

Frequently Asked Questions

What is the IUPAC name of 7H-chromene-8-carbaldehyde?
The IUPAC name of 7H-chromene-8-carbaldehyde (CID 174561292) is 7H-chromene-8-carbaldehyde.
What is the SMILES notation for 7H-chromene-8-carbaldehyde?
The canonical SMILES for 7H-chromene-8-carbaldehyde is O=CC1=C2OC=CC=C2C=CC1.
What is the InChIKey of 7H-chromene-8-carbaldehyde?
The InChIKey is LNPCUUSLCOERQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2/c11-7-9-4-1-3-8-5-2-6-12-10(8)9/h1-3,5-7H,4H2.
What are the key properties of 7H-chromene-8-carbaldehyde?
7H-chromene-8-carbaldehyde has a molecular weight of 160.17 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-chromene-8-carbaldehyde is sourced from PubChem (CID 174561292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).