(2S)-2-methyl-2H-chromene-3-carbaldehyde

C11H10O2 — CID 907603

IUPAC(2S)-2-methyl-2H-chromene-3-carbaldehyde
SMILESC[C@@H]1Oc2ccccc2C=C1C=O
InChIInChI=1S/C11H10O2/c1-8-10(7-12)6-9-4-2-3-5-11(9)13-8/h2-8H,1H3/t8-/m0/s1
InChIKeyXVXWDVISFYVJQD-QMMMGPOBSA-N
MW174.20 g/mol
LogP2.05
Rot. Bonds1

About (2S)-2-methyl-2H-chromene-3-carbaldehyde

(2S)-2-methyl-2H-chromene-3-carbaldehyde (PubChem CID 907603) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2S)-2-methyl-2H-chromene-3-carbaldehyde.

Molecular Properties

Compound Name(2S)-2-methyl-2H-chromene-3-carbaldehyde
PubChem CID907603
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name(2S)-2-methyl-2H-chromene-3-carbaldehyde
SMILESC[C@@H]1Oc2ccccc2C=C1C=O
InChIInChI=1S/C11H10O2/c1-8-10(7-12)6-9-4-2-3-5-11(9)13-8/h2-8H,1H3/t8-/m0/s1
InChIKeyXVXWDVISFYVJQD-QMMMGPOBSA-N
XLogP2.05
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 ≤ 52.05
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 (2S)-2-methyl-2H-chromene-3-carbaldehyde?
The IUPAC name of (2S)-2-methyl-2H-chromene-3-carbaldehyde (CID 907603) is (2S)-2-methyl-2H-chromene-3-carbaldehyde.
What is the SMILES notation for (2S)-2-methyl-2H-chromene-3-carbaldehyde?
The canonical SMILES for (2S)-2-methyl-2H-chromene-3-carbaldehyde is C[C@@H]1Oc2ccccc2C=C1C=O.
What is the InChIKey of (2S)-2-methyl-2H-chromene-3-carbaldehyde?
The InChIKey is XVXWDVISFYVJQD-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H10O2/c1-8-10(7-12)6-9-4-2-3-5-11(9)13-8/h2-8H,1H3/t8-/m0/s1.
What are the key properties of (2S)-2-methyl-2H-chromene-3-carbaldehyde?
(2S)-2-methyl-2H-chromene-3-carbaldehyde has a molecular weight of 174.20 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2H-chromene-3-carbaldehyde is sourced from PubChem (CID 907603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).