ethane;2-fluoro-5-(4-hydroxy-3-methylphenyl)-2,3-dihydroinden-1-one

C20H25FO2 — CID 145349958

IUPACethane;2-fluoro-5-(4-hydroxy-3-methylphenyl)-2,3-dihydroinden-1-one
SMILESCC.CC.Cc1cc(-c2ccc3c(c2)CC(F)C3=O)ccc1O
InChIInChI=1S/C16H13FO2.2C2H6/c1-9-6-10(3-5-15(9)18)11-2-4-13-12(7-11)8-14(17)16(13)19;2*1-2/h2-7,14,18H,8H2,1H3;2*1-2H3
InChIKeyISLGNJBQJWBEAF-UHFFFAOYSA-N
MW316.42 g/mol
LogP5.50
Rot. Bonds1

About ethane;2-fluoro-5-(4-hydroxy-3-methylphenyl)-2,3-dihydroinden-1-one

ethane;2-fluoro-5-(4-hydroxy-3-methylphenyl)-2,3-dihydroinden-1-one (PubChem CID 145349958) has the molecular formula C20H25FO2 and a molecular weight of 316.42 g/mol. Its IUPAC name is ethane;2-fluoro-5-(4-hydroxy-3-methylphenyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Nameethane;2-fluoro-5-(4-hydroxy-3-methylphenyl)-2,3-dihydroinden-1-one
PubChem CID145349958
Molecular FormulaC20H25FO2
Molecular Weight316.42 g/mol
Exact Mass316.18
IUPAC Nameethane;2-fluoro-5-(4-hydroxy-3-methylphenyl)-2,3-dihydroinden-1-one
SMILESCC.CC.Cc1cc(-c2ccc3c(c2)CC(F)C3=O)ccc1O
InChIInChI=1S/C16H13FO2.2C2H6/c1-9-6-10(3-5-15(9)18)11-2-4-13-12(7-11)8-14(17)16(13)19;2*1-2/h2-7,14,18H,8H2,1H3;2*1-2H3
InChIKeyISLGNJBQJWBEAF-UHFFFAOYSA-N
XLogP5.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.42
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one
CID 11357149
2-fluoro-5-methoxy-2,3-dihydroinden-1-one
CID 45120123
4-(2,3-dihydro-1H-inden-5-yl)-2-methylphenol
CID 166178430
4-(4-hydroxy-2-methylphenyl)-3-methylphenol;4-(4-hydroxy-3-methylphenyl)-2-methylphenol
CID 71293385
4-[6-(4-hydroxy-3-methylphenyl)-1,2-dihydroacenaphthylen-5-yl]-2-methylphenol
CID 11793283
4-[4-[4-[4-(4-tert-butyl-2-methylphenyl)-2-methylphenyl]-2-methylphenyl]-2-methylphenyl]-2-methylphenol
CID 123751575
2-methyl-4-(4-phenylphenyl)phenol
CID 83131251
4-(2,4-dimethylphenyl)-2-methylphenol
CID 53218818
4-(2,4-difluorophenyl)-2-methylphenol
CID 53218882
ethane;4-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol
CID 174407562
4-(4-hydroxy-3-phenylphenyl)-2-methylphenol
CID 139534984
4-(4-hydroxy-3-methylphenyl)benzoic acid
CID 15389812

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-5-(4-hydroxy-3-methylphenyl)-2,3-dihydroinden-1-one?
The IUPAC name of ethane;2-fluoro-5-(4-hydroxy-3-methylphenyl)-2,3-dihydroinden-1-one (CID 145349958) is ethane;2-fluoro-5-(4-hydroxy-3-methylphenyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for ethane;2-fluoro-5-(4-hydroxy-3-methylphenyl)-2,3-dihydroinden-1-one?
The canonical SMILES for ethane;2-fluoro-5-(4-hydroxy-3-methylphenyl)-2,3-dihydroinden-1-one is CC.CC.Cc1cc(-c2ccc3c(c2)CC(F)C3=O)ccc1O.
What is the InChIKey of ethane;2-fluoro-5-(4-hydroxy-3-methylphenyl)-2,3-dihydroinden-1-one?
The InChIKey is ISLGNJBQJWBEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO2.2C2H6/c1-9-6-10(3-5-15(9)18)11-2-4-13-12(7-11)8-14(17)16(13)19;2*1-2/h2-7,14,18H,8H2,1H3;2*1-2H3.
What are the key properties of ethane;2-fluoro-5-(4-hydroxy-3-methylphenyl)-2,3-dihydroinden-1-one?
ethane;2-fluoro-5-(4-hydroxy-3-methylphenyl)-2,3-dihydroinden-1-one has a molecular weight of 316.42 g/mol, XLogP of 5.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-5-(4-hydroxy-3-methylphenyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 145349958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).