7-methyl-2,3-dihydrochromen-4-one;hydrochloride

C10H11ClO2 — CID 127263931

IUPAC7-methyl-2,3-dihydrochromen-4-one;hydrochloride
SMILESCc1ccc2c(c1)OCCC2=O.Cl
InChIInChI=1S/C10H10O2.ClH/c1-7-2-3-8-9(11)4-5-12-10(8)6-7;/h2-3,6H,4-5H2,1H3;1H
InChIKeyUIBFTCPEXQFUFP-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.38
Rot. Bonds

About 7-methyl-2,3-dihydrochromen-4-one;hydrochloride

7-methyl-2,3-dihydrochromen-4-one;hydrochloride (PubChem CID 127263931) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 7-methyl-2,3-dihydrochromen-4-one;hydrochloride.

Molecular Properties

Compound Name7-methyl-2,3-dihydrochromen-4-one;hydrochloride
PubChem CID127263931
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name7-methyl-2,3-dihydrochromen-4-one;hydrochloride
SMILESCc1ccc2c(c1)OCCC2=O.Cl
InChIInChI=1S/C10H10O2.ClH/c1-7-2-3-8-9(11)4-5-12-10(8)6-7;/h2-3,6H,4-5H2,1H3;1H
InChIKeyUIBFTCPEXQFUFP-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,3-dihydrochromen-4-one;hydrochloride?
The IUPAC name of 7-methyl-2,3-dihydrochromen-4-one;hydrochloride (CID 127263931) is 7-methyl-2,3-dihydrochromen-4-one;hydrochloride.
What is the SMILES notation for 7-methyl-2,3-dihydrochromen-4-one;hydrochloride?
The canonical SMILES for 7-methyl-2,3-dihydrochromen-4-one;hydrochloride is Cc1ccc2c(c1)OCCC2=O.Cl.
What is the InChIKey of 7-methyl-2,3-dihydrochromen-4-one;hydrochloride?
The InChIKey is UIBFTCPEXQFUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2.ClH/c1-7-2-3-8-9(11)4-5-12-10(8)6-7;/h2-3,6H,4-5H2,1H3;1H.
What are the key properties of 7-methyl-2,3-dihydrochromen-4-one;hydrochloride?
7-methyl-2,3-dihydrochromen-4-one;hydrochloride has a molecular weight of 198.65 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,3-dihydrochromen-4-one;hydrochloride is sourced from PubChem (CID 127263931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).