CID 140659686

C7H7O2 — CID 140659686

IUPAC—
SMILES[CH2]C(=O)c1ccoc1C
InChIInChI=1S/C7H7O2/c1-5(8)7-3-4-9-6(7)2/h3-4H,1H2,2H3
InChIKeyMIHWGJHRTNPUJB-UHFFFAOYSA-N
MW123.13 g/mol
LogP1.60
Rot. Bonds1

About CID 140659686

CID 140659686 (PubChem CID 140659686) has the molecular formula C7H7O2 and a molecular weight of 123.13 g/mol.

Molecular Properties

Compound NameCID 140659686
PubChem CID140659686
Molecular FormulaC7H7O2
Molecular Weight123.13 g/mol
Exact Mass123.04
IUPAC Name—
SMILES[CH2]C(=O)c1ccoc1C
InChIInChI=1S/C7H7O2/c1-5(8)7-3-4-9-6(7)2/h3-4H,1H2,2H3
InChIKeyMIHWGJHRTNPUJB-UHFFFAOYSA-N
XLogP1.60
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.13
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(2-methylfuran-3-yl)propan-1-one
CID 104789309
2-iodo-1-(2-methylfuran-3-yl)ethanone
CID 89341465
iodo 2-methylfuran-3-carboxylate
CID 126570406
N-iodo-2-methylfuran-3-carboxamide
CID 170236265
2-bromo-1-(2-methylfuran-3-yl)ethanone
CID 75360830
1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
CID 1011836
2-(2-methylfuran-3-carbonyl)propanedinitrile
CID 112732057
furan-3-yl-(2-methylfuran-3-yl)methanone
CID 104789242
cyclopentyl-(2-methylfuran-3-yl)methanone
CID 104789343
N-(3-acetylphenyl)-2-methylfuran-3-carboxamide
CID 896770
1-(2-methylfuran-3-yl)pent-3-yn-1-one
CID 104789229
(2-methylfuran-3-yl)-pyrimidin-5-ylmethanone
CID 104789316

Frequently Asked Questions

What is the IUPAC name of CID 140659686?
The IUPAC name of CID 140659686 (CID 140659686) is not available.
What is the SMILES notation for CID 140659686?
The canonical SMILES for CID 140659686 is [CH2]C(=O)c1ccoc1C.
What is the InChIKey of CID 140659686?
The InChIKey is MIHWGJHRTNPUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O2/c1-5(8)7-3-4-9-6(7)2/h3-4H,1H2,2H3.
What are the key properties of CID 140659686?
CID 140659686 has a molecular weight of 123.13 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140659686 is sourced from PubChem (CID 140659686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).