2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)acetaldehyde

C12H14O2 — CID 87790896

IUPAC2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)acetaldehyde
SMILESCc1ccc2c(c1)OCCC2CC=O
InChIInChI=1S/C12H14O2/c1-9-2-3-11-10(4-6-13)5-7-14-12(11)8-9/h2-3,6,8,10H,4-5,7H2,1H3
InChIKeyPHVFTOQKBFGZOR-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.45
Rot. Bonds2

About 2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)acetaldehyde

2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)acetaldehyde (PubChem CID 87790896) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)acetaldehyde
PubChem CID87790896
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)acetaldehyde
SMILESCc1ccc2c(c1)OCCC2CC=O
InChIInChI=1S/C12H14O2/c1-9-2-3-11-10(4-6-13)5-7-14-12(11)8-9/h2-3,6,8,10H,4-5,7H2,1H3
InChIKeyPHVFTOQKBFGZOR-UHFFFAOYSA-N
XLogP2.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)acetaldehyde?
The IUPAC name of 2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)acetaldehyde (CID 87790896) is 2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)acetaldehyde.
What is the SMILES notation for 2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)acetaldehyde?
The canonical SMILES for 2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)acetaldehyde is Cc1ccc2c(c1)OCCC2CC=O.
What is the InChIKey of 2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)acetaldehyde?
The InChIKey is PHVFTOQKBFGZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-9-2-3-11-10(4-6-13)5-7-14-12(11)8-9/h2-3,6,8,10H,4-5,7H2,1H3.
What are the key properties of 2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)acetaldehyde?
2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)acetaldehyde has a molecular weight of 190.24 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)acetaldehyde is sourced from PubChem (CID 87790896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).