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

C11H10O2 — CID 101185474

IUPAC8-methyl-2H-chromene-3-carbaldehyde
SMILESCc1cccc2c1OCC(C=O)=C2
InChIInChI=1S/C11H10O2/c1-8-3-2-4-10-5-9(6-12)7-13-11(8)10/h2-6H,7H2,1H3
InChIKeySLATYEXHHJBQDP-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.97
Rot. Bonds1

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

8-methyl-2H-chromene-3-carbaldehyde (PubChem CID 101185474) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 8-methyl-2H-chromene-3-carbaldehyde.

Molecular Properties

Compound Name8-methyl-2H-chromene-3-carbaldehyde
PubChem CID101185474
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name8-methyl-2H-chromene-3-carbaldehyde
SMILESCc1cccc2c1OCC(C=O)=C2
InChIInChI=1S/C11H10O2/c1-8-3-2-4-10-5-9(6-12)7-13-11(8)10/h2-6H,7H2,1H3
InChIKeySLATYEXHHJBQDP-UHFFFAOYSA-N
XLogP1.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.97
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

9-iodo-2,3-dihydro-1-benzoxepine-4-carbaldehyde
CID 54089702
4-chloro-8-methyl-2H-chromene-3-carbaldehyde
CID 10512579
7H-benzo[7]annulene-6,8-dicarbaldehyde
CID 14195628
8-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde
CID 58438838
2,3-dihydro-1-benzoxepine-4-carbaldehyde
CID 18185267
2-cyano-3-(8-methoxy-2H-chromen-3-yl)prop-2-enamide
CID 4711139
2,6-dimethylbenzaldehyde
CID 159545887
methyl 2-cyano-3-(8-methoxy-2H-chromen-3-yl)prop-2-enoate
CID 4861892
6,9-dimethyl-1,5-benzodioxepin-3-one
CID 16757234
(3-formyl-2H-chromen-7-yl) methanesulfonate
CID 58439077
8-methyl-3-(thiadiazol-4-ylmethylidene)chromen-4-one
CID 47393792
2,2,8-trimethyl-1H-quinoline-3-carbaldehyde
CID 53381464

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2H-chromene-3-carbaldehyde?
The IUPAC name of 8-methyl-2H-chromene-3-carbaldehyde (CID 101185474) is 8-methyl-2H-chromene-3-carbaldehyde.
What is the SMILES notation for 8-methyl-2H-chromene-3-carbaldehyde?
The canonical SMILES for 8-methyl-2H-chromene-3-carbaldehyde is Cc1cccc2c1OCC(C=O)=C2.
What is the InChIKey of 8-methyl-2H-chromene-3-carbaldehyde?
The InChIKey is SLATYEXHHJBQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c1-8-3-2-4-10-5-9(6-12)7-13-11(8)10/h2-6H,7H2,1H3.
What are the key properties of 8-methyl-2H-chromene-3-carbaldehyde?
8-methyl-2H-chromene-3-carbaldehyde has a molecular weight of 174.20 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2H-chromene-3-carbaldehyde is sourced from PubChem (CID 101185474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).