4-chloro-8-methyl-2H-chromene-3-carbaldehyde

C11H9ClO2 — CID 10512579

IUPAC4-chloro-8-methyl-2H-chromene-3-carbaldehyde
SMILESCc1cccc2c1OCC(C=O)=C2Cl
InChIInChI=1S/C11H9ClO2/c1-7-3-2-4-9-10(12)8(5-13)6-14-11(7)9/h2-5H,6H2,1H3
InChIKeyQDYKOEUJUAQEJL-UHFFFAOYSA-N
MW208.64 g/mol
LogP2.54
Rot. Bonds1

About 4-chloro-8-methyl-2H-chromene-3-carbaldehyde

4-chloro-8-methyl-2H-chromene-3-carbaldehyde (PubChem CID 10512579) has the molecular formula C11H9ClO2 and a molecular weight of 208.64 g/mol. Its IUPAC name is 4-chloro-8-methyl-2H-chromene-3-carbaldehyde.

Molecular Properties

Compound Name4-chloro-8-methyl-2H-chromene-3-carbaldehyde
PubChem CID10512579
Molecular FormulaC11H9ClO2
Molecular Weight208.64 g/mol
Exact Mass208.03
IUPAC Name4-chloro-8-methyl-2H-chromene-3-carbaldehyde
SMILESCc1cccc2c1OCC(C=O)=C2Cl
InChIInChI=1S/C11H9ClO2/c1-7-3-2-4-9-10(12)8(5-13)6-14-11(7)9/h2-5H,6H2,1H3
InChIKeyQDYKOEUJUAQEJL-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.64
LogP ≤ 52.54
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

4-chloro-6-methyl-2H-chromene-3-carbaldehyde
CID 10488611
8-methyl-2H-chromene-3-carbaldehyde
CID 101185474
1,5-dimethyl-3,4-dihydronaphthalene-2-carbaldehyde
CID 115057517
8-methyl-3-(thiadiazol-4-ylmethylidene)chromen-4-one
CID 47393792
3-(butylaminomethyl)-8-methyl-2,3-dihydrochromen-4-one
CID 117067245
4-methyl-6H-isoquinolino[2,3-c][1,3]benzoxazin-7-ium
CID 22968697
3-(butylaminomethyl)-8-methyl-2,3-dihydrochromen-4-one;hydrochloride
CID 117067244
12-methyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-4-one
CID 86088962
2,6-dimethylbenzaldehyde
CID 159545887
3-benzyl-4,8-dimethyl-2H-1,3-benzoxazin-3-ium
CID 20783439
6,9-dimethyl-1,5-benzodioxepin-3-one
CID 16757234
3-(3-formyl-2-methylphenyl)-2-methylbenzaldehyde
CID 86188059

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-methyl-2H-chromene-3-carbaldehyde?
The IUPAC name of 4-chloro-8-methyl-2H-chromene-3-carbaldehyde (CID 10512579) is 4-chloro-8-methyl-2H-chromene-3-carbaldehyde.
What is the SMILES notation for 4-chloro-8-methyl-2H-chromene-3-carbaldehyde?
The canonical SMILES for 4-chloro-8-methyl-2H-chromene-3-carbaldehyde is Cc1cccc2c1OCC(C=O)=C2Cl.
What is the InChIKey of 4-chloro-8-methyl-2H-chromene-3-carbaldehyde?
The InChIKey is QDYKOEUJUAQEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO2/c1-7-3-2-4-9-10(12)8(5-13)6-14-11(7)9/h2-5H,6H2,1H3.
What are the key properties of 4-chloro-8-methyl-2H-chromene-3-carbaldehyde?
4-chloro-8-methyl-2H-chromene-3-carbaldehyde has a molecular weight of 208.64 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-methyl-2H-chromene-3-carbaldehyde is sourced from PubChem (CID 10512579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).