4-(1,3-dimethyl-2,3-dihydroinden-1-yl)butan-2-one

C15H20O — CID 142902454

IUPAC4-(1,3-dimethyl-2,3-dihydroinden-1-yl)butan-2-one
SMILESCC(=O)CCC1(C)CC(C)c2ccccc21
InChIInChI=1S/C15H20O/c1-11-10-15(3,9-8-12(2)16)14-7-5-4-6-13(11)14/h4-7,11H,8-10H2,1-3H3
InChIKeyMXRDEGMQEKKTJX-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.82
Rot. Bonds3

About 4-(1,3-dimethyl-2,3-dihydroinden-1-yl)butan-2-one

4-(1,3-dimethyl-2,3-dihydroinden-1-yl)butan-2-one (PubChem CID 142902454) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 4-(1,3-dimethyl-2,3-dihydroinden-1-yl)butan-2-one.

Molecular Properties

Compound Name4-(1,3-dimethyl-2,3-dihydroinden-1-yl)butan-2-one
PubChem CID142902454
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name4-(1,3-dimethyl-2,3-dihydroinden-1-yl)butan-2-one
SMILESCC(=O)CCC1(C)CC(C)c2ccccc21
InChIInChI=1S/C15H20O/c1-11-10-15(3,9-8-12(2)16)14-7-5-4-6-13(11)14/h4-7,11H,8-10H2,1-3H3
InChIKeyMXRDEGMQEKKTJX-UHFFFAOYSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 97103179
1-methyl-1-(3-oxobutyl)-3,4-dihydronaphthalen-2-one
CID 15148757
1-amino-3-methyl-2,3-dihydroindene-1-carbonitrile
CID 130570305
4-chloro-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)butan-1-one
CID 132649789
2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 115420224
4-[(3aR,8bS)-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-yl]butan-2-one
CID 102319492
2-[1-(dimethylamino)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]acetic acid
CID 115420429
3-methyl-1-prop-2-enyl-2,3-dihydroinden-1-amine
CID 75162996
1-amino-4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylic acid
CID 66351408
4-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-2-one
CID 79429274
ethane;4-(9H-fluoren-9-yl)butan-2-one
CID 143985685
2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetate
CID 20695985

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethyl-2,3-dihydroinden-1-yl)butan-2-one?
The IUPAC name of 4-(1,3-dimethyl-2,3-dihydroinden-1-yl)butan-2-one (CID 142902454) is 4-(1,3-dimethyl-2,3-dihydroinden-1-yl)butan-2-one.
What is the SMILES notation for 4-(1,3-dimethyl-2,3-dihydroinden-1-yl)butan-2-one?
The canonical SMILES for 4-(1,3-dimethyl-2,3-dihydroinden-1-yl)butan-2-one is CC(=O)CCC1(C)CC(C)c2ccccc21.
What is the InChIKey of 4-(1,3-dimethyl-2,3-dihydroinden-1-yl)butan-2-one?
The InChIKey is MXRDEGMQEKKTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-11-10-15(3,9-8-12(2)16)14-7-5-4-6-13(11)14/h4-7,11H,8-10H2,1-3H3.
What are the key properties of 4-(1,3-dimethyl-2,3-dihydroinden-1-yl)butan-2-one?
4-(1,3-dimethyl-2,3-dihydroinden-1-yl)butan-2-one has a molecular weight of 216.32 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethyl-2,3-dihydroinden-1-yl)butan-2-one is sourced from PubChem (CID 142902454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).