ethane;2-methyl-2,3-dihydrochromen-4-one

C14H22O2 — CID 142100013

IUPACethane;2-methyl-2,3-dihydrochromen-4-one
SMILESCC.CC.CC1CC(=O)c2ccccc2O1
InChIInChI=1S/C10H10O2.2C2H6/c1-7-6-9(11)8-4-2-3-5-10(8)12-7;2*1-2/h2-5,7H,6H2,1H3;2*1-2H3
InChIKeyXISOSKYWMJYCRI-UHFFFAOYSA-N
MW222.33 g/mol
LogP4.09
Rot. Bonds

About ethane;2-methyl-2,3-dihydrochromen-4-one

ethane;2-methyl-2,3-dihydrochromen-4-one (PubChem CID 142100013) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is ethane;2-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Nameethane;2-methyl-2,3-dihydrochromen-4-one
PubChem CID142100013
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Nameethane;2-methyl-2,3-dihydrochromen-4-one
SMILESCC.CC.CC1CC(=O)c2ccccc2O1
InChIInChI=1S/C10H10O2.2C2H6/c1-7-6-9(11)8-4-2-3-5-10(8)12-7;2*1-2/h2-5,7H,6H2,1H3;2*1-2H3
InChIKeyXISOSKYWMJYCRI-UHFFFAOYSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-phenyl-2,3-dihydrochromen-4-one
CID 91018475
2,7-dimethyl-2,3-dihydrochromen-4-one
CID 584383
(2S)-6-fluoro-2-methyl-2,3-dihydrochromen-4-one
CID 7016138
2-cyclopropyl-2,3-dihydrochromen-4-one
CID 114671469
ethane;2-methyl-2,3-dihydro-1-benzofuran
CID 91201191
2-(4-methylphenyl)-2,3-dihydrochromen-4-one
CID 2802466
(2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one
CID 40595579
6,7-dichloro-2-methyl-2,3-dihydrochromen-4-one
CID 12664412
2-(3-methylpentan-3-yl)-2,3-dihydrochromen-4-one
CID 86188407
8-iodo-2-methyl-2,3-dihydrochromen-4-one
CID 43536448
(2S)-2-methyl-2,3-dihydro-1-benzofuran
CID 7359194
2-(1-hydroxypropan-2-yl)-2,3-dihydrochromen-4-one
CID 138982918

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of ethane;2-methyl-2,3-dihydrochromen-4-one (CID 142100013) is ethane;2-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for ethane;2-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for ethane;2-methyl-2,3-dihydrochromen-4-one is CC.CC.CC1CC(=O)c2ccccc2O1.
What is the InChIKey of ethane;2-methyl-2,3-dihydrochromen-4-one?
The InChIKey is XISOSKYWMJYCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2.2C2H6/c1-7-6-9(11)8-4-2-3-5-10(8)12-7;2*1-2/h2-5,7H,6H2,1H3;2*1-2H3.
What are the key properties of ethane;2-methyl-2,3-dihydrochromen-4-one?
ethane;2-methyl-2,3-dihydrochromen-4-one has a molecular weight of 222.33 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 142100013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).