7-methyl-2-propan-2-yl-2,3-dihydrochromen-4-one

C13H16O2 — CID 585332

IUPAC7-methyl-2-propan-2-yl-2,3-dihydrochromen-4-one
SMILESCc1ccc2c(c1)OC(C(C)C)CC2=O
InChIInChI=1S/C13H16O2/c1-8(2)12-7-11(14)10-5-4-9(3)6-13(10)15-12/h4-6,8,12H,7H2,1-3H3
InChIKeyRSLYWFYUMICTMC-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.98
Rot. Bonds1

About 7-methyl-2-propan-2-yl-2,3-dihydrochromen-4-one

7-methyl-2-propan-2-yl-2,3-dihydrochromen-4-one (PubChem CID 585332) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 7-methyl-2-propan-2-yl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-methyl-2-propan-2-yl-2,3-dihydrochromen-4-one
PubChem CID585332
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name7-methyl-2-propan-2-yl-2,3-dihydrochromen-4-one
SMILESCc1ccc2c(c1)OC(C(C)C)CC2=O
InChIInChI=1S/C13H16O2/c1-8(2)12-7-11(14)10-5-4-9(3)6-13(10)15-12/h4-6,8,12H,7H2,1-3H3
InChIKeyRSLYWFYUMICTMC-UHFFFAOYSA-N
XLogP2.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-propan-2-yl-2,3-dihydrochromen-4-one?
The IUPAC name of 7-methyl-2-propan-2-yl-2,3-dihydrochromen-4-one (CID 585332) is 7-methyl-2-propan-2-yl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-methyl-2-propan-2-yl-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-methyl-2-propan-2-yl-2,3-dihydrochromen-4-one is Cc1ccc2c(c1)OC(C(C)C)CC2=O.
What is the InChIKey of 7-methyl-2-propan-2-yl-2,3-dihydrochromen-4-one?
The InChIKey is RSLYWFYUMICTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-8(2)12-7-11(14)10-5-4-9(3)6-13(10)15-12/h4-6,8,12H,7H2,1-3H3.
What are the key properties of 7-methyl-2-propan-2-yl-2,3-dihydrochromen-4-one?
7-methyl-2-propan-2-yl-2,3-dihydrochromen-4-one has a molecular weight of 204.27 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-propan-2-yl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 585332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).