(2S)-2,7,8-trimethyl-2,3-dihydrochromen-4-one

C12H14O2 — CID 93105242

IUPAC(2S)-2,7,8-trimethyl-2,3-dihydrochromen-4-one
SMILESCc1ccc2c(c1C)O[C@@H](C)CC2=O
InChIInChI=1S/C12H14O2/c1-7-4-5-10-11(13)6-8(2)14-12(10)9(7)3/h4-5,8H,6H2,1-3H3/t8-/m0/s1
InChIKeyFUQGBFSQMDXNFM-QMMMGPOBSA-N
MW190.24 g/mol
LogP2.66
Rot. Bonds

About (2S)-2,7,8-trimethyl-2,3-dihydrochromen-4-one

(2S)-2,7,8-trimethyl-2,3-dihydrochromen-4-one (PubChem CID 93105242) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2S)-2,7,8-trimethyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2S)-2,7,8-trimethyl-2,3-dihydrochromen-4-one
PubChem CID93105242
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(2S)-2,7,8-trimethyl-2,3-dihydrochromen-4-one
SMILESCc1ccc2c(c1C)O[C@@H](C)CC2=O
InChIInChI=1S/C12H14O2/c1-7-4-5-10-11(13)6-8(2)14-12(10)9(7)3/h4-5,8H,6H2,1-3H3/t8-/m0/s1
InChIKeyFUQGBFSQMDXNFM-QMMMGPOBSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,7,8-trimethyl-2,3-dihydrochromen-4-one?
The IUPAC name of (2S)-2,7,8-trimethyl-2,3-dihydrochromen-4-one (CID 93105242) is (2S)-2,7,8-trimethyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2S)-2,7,8-trimethyl-2,3-dihydrochromen-4-one?
The canonical SMILES for (2S)-2,7,8-trimethyl-2,3-dihydrochromen-4-one is Cc1ccc2c(c1C)O[C@@H](C)CC2=O.
What is the InChIKey of (2S)-2,7,8-trimethyl-2,3-dihydrochromen-4-one?
The InChIKey is FUQGBFSQMDXNFM-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14O2/c1-7-4-5-10-11(13)6-8(2)14-12(10)9(7)3/h4-5,8H,6H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-2,7,8-trimethyl-2,3-dihydrochromen-4-one?
(2S)-2,7,8-trimethyl-2,3-dihydrochromen-4-one has a molecular weight of 190.24 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,7,8-trimethyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 93105242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).