6-hydroxy-2,2-dimethyl-3,4-dihydrochromene-7-carbaldehyde

C12H14O3 — CID 20818420

IUPAC6-hydroxy-2,2-dimethyl-3,4-dihydrochromene-7-carbaldehyde
SMILESCC1(C)CCc2cc(O)c(C=O)cc2O1
InChIInChI=1S/C12H14O3/c1-12(2)4-3-8-5-10(14)9(7-13)6-11(8)15-12/h5-7,14H,3-4H2,1-2H3
InChIKeyLXZNZHOTBOROQL-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.31
Rot. Bonds1

About 6-hydroxy-2,2-dimethyl-3,4-dihydrochromene-7-carbaldehyde

6-hydroxy-2,2-dimethyl-3,4-dihydrochromene-7-carbaldehyde (PubChem CID 20818420) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 6-hydroxy-2,2-dimethyl-3,4-dihydrochromene-7-carbaldehyde.

Molecular Properties

Compound Name6-hydroxy-2,2-dimethyl-3,4-dihydrochromene-7-carbaldehyde
PubChem CID20818420
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name6-hydroxy-2,2-dimethyl-3,4-dihydrochromene-7-carbaldehyde
SMILESCC1(C)CCc2cc(O)c(C=O)cc2O1
InChIInChI=1S/C12H14O3/c1-12(2)4-3-8-5-10(14)9(7-13)6-11(8)15-12/h5-7,14H,3-4H2,1-2H3
InChIKeyLXZNZHOTBOROQL-UHFFFAOYSA-N
XLogP2.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,2-dimethyl-3,4-dihydrochromene-7-carbaldehyde?
The IUPAC name of 6-hydroxy-2,2-dimethyl-3,4-dihydrochromene-7-carbaldehyde (CID 20818420) is 6-hydroxy-2,2-dimethyl-3,4-dihydrochromene-7-carbaldehyde.
What is the SMILES notation for 6-hydroxy-2,2-dimethyl-3,4-dihydrochromene-7-carbaldehyde?
The canonical SMILES for 6-hydroxy-2,2-dimethyl-3,4-dihydrochromene-7-carbaldehyde is CC1(C)CCc2cc(O)c(C=O)cc2O1.
What is the InChIKey of 6-hydroxy-2,2-dimethyl-3,4-dihydrochromene-7-carbaldehyde?
The InChIKey is LXZNZHOTBOROQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-12(2)4-3-8-5-10(14)9(7-13)6-11(8)15-12/h5-7,14H,3-4H2,1-2H3.
What are the key properties of 6-hydroxy-2,2-dimethyl-3,4-dihydrochromene-7-carbaldehyde?
6-hydroxy-2,2-dimethyl-3,4-dihydrochromene-7-carbaldehyde has a molecular weight of 206.24 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,2-dimethyl-3,4-dihydrochromene-7-carbaldehyde is sourced from PubChem (CID 20818420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).