(2,3-dimethyl-3H-inden-1-yl)-phenylmethanone

C18H16O — CID 102031725

IUPAC(2,3-dimethyl-3H-inden-1-yl)-phenylmethanone
SMILESCC1=C(C(=O)c2ccccc2)c2ccccc2C1C
InChIInChI=1S/C18H16O/c1-12-13(2)17(16-11-7-6-10-15(12)16)18(19)14-8-4-3-5-9-14/h3-12H,1-2H3
InChIKeyULFZPDSLJIKNAQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.46
Rot. Bonds2

About (2,3-dimethyl-3H-inden-1-yl)-phenylmethanone

(2,3-dimethyl-3H-inden-1-yl)-phenylmethanone (PubChem CID 102031725) has the molecular formula C18H16O and a molecular weight of 248.33 g/mol. Its IUPAC name is (2,3-dimethyl-3H-inden-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(2,3-dimethyl-3H-inden-1-yl)-phenylmethanone
PubChem CID102031725
Molecular FormulaC18H16O
Molecular Weight248.33 g/mol
Exact Mass248.12
IUPAC Name(2,3-dimethyl-3H-inden-1-yl)-phenylmethanone
SMILESCC1=C(C(=O)c2ccccc2)c2ccccc2C1C
InChIInChI=1S/C18H16O/c1-12-13(2)17(16-11-7-6-10-15(12)16)18(19)14-8-4-3-5-9-14/h3-12H,1-2H3
InChIKeyULFZPDSLJIKNAQ-UHFFFAOYSA-N
XLogP4.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,3-dimethyl-3H-inden-1-yl)-(4-methoxyphenyl)methanone
CID 102031731
2-(dimethylamino)-3-methyl-3H-indene-1-carboxylic acid
CID 175098994
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
phenyl-[2-(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanone
CID 23015157
4-benzoyl-5-methylcyclohex-4-ene-1,3-dione
CID 22406349
1-methyl-3-phenyl-1H-indene-2-carboxylic acid
CID 177461610
ethane;propane;1,2,3-trimethyl-1H-indene
CID 142448762
bis(diphenylmethanone);dihydrochloride
CID 69107757
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
diphenylmethanone;gold
CID 174931146

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-3H-inden-1-yl)-phenylmethanone?
The IUPAC name of (2,3-dimethyl-3H-inden-1-yl)-phenylmethanone (CID 102031725) is (2,3-dimethyl-3H-inden-1-yl)-phenylmethanone.
What is the SMILES notation for (2,3-dimethyl-3H-inden-1-yl)-phenylmethanone?
The canonical SMILES for (2,3-dimethyl-3H-inden-1-yl)-phenylmethanone is CC1=C(C(=O)c2ccccc2)c2ccccc2C1C.
What is the InChIKey of (2,3-dimethyl-3H-inden-1-yl)-phenylmethanone?
The InChIKey is ULFZPDSLJIKNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O/c1-12-13(2)17(16-11-7-6-10-15(12)16)18(19)14-8-4-3-5-9-14/h3-12H,1-2H3.
What are the key properties of (2,3-dimethyl-3H-inden-1-yl)-phenylmethanone?
(2,3-dimethyl-3H-inden-1-yl)-phenylmethanone has a molecular weight of 248.33 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-3H-inden-1-yl)-phenylmethanone is sourced from PubChem (CID 102031725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).