5-(3,4-dimethyl-2-propoxyphenyl)-2,3-dihydroinden-1-one

C20H22O2 — CID 118964821

IUPAC5-(3,4-dimethyl-2-propoxyphenyl)-2,3-dihydroinden-1-one
SMILESCCCOc1c(-c2ccc3c(c2)CCC3=O)ccc(C)c1C
InChIInChI=1S/C20H22O2/c1-4-11-22-20-14(3)13(2)5-8-18(20)16-6-9-17-15(12-16)7-10-19(17)21/h5-6,8-9,12H,4,7,10-11H2,1-3H3
InChIKeyOQOSCXHGYQOTFL-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.89
Rot. Bonds4

About 5-(3,4-dimethyl-2-propoxyphenyl)-2,3-dihydroinden-1-one

5-(3,4-dimethyl-2-propoxyphenyl)-2,3-dihydroinden-1-one (PubChem CID 118964821) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 5-(3,4-dimethyl-2-propoxyphenyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-(3,4-dimethyl-2-propoxyphenyl)-2,3-dihydroinden-1-one
PubChem CID118964821
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name5-(3,4-dimethyl-2-propoxyphenyl)-2,3-dihydroinden-1-one
SMILESCCCOc1c(-c2ccc3c(c2)CCC3=O)ccc(C)c1C
InChIInChI=1S/C20H22O2/c1-4-11-22-20-14(3)13(2)5-8-18(20)16-6-9-17-15(12-16)7-10-19(17)21/h5-6,8-9,12H,4,7,10-11H2,1-3H3
InChIKeyOQOSCXHGYQOTFL-UHFFFAOYSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-(3-hydroxy-2,2-dimethylpropoxy)-3-methoxy-4-methylphenyl]-2,3-dihydroinden-1-one
CID 70170728
5-[3,4-dimethoxy-2-(2-methylpropoxy)phenyl]-2,3-dihydroinden-1-one
CID 54577161
5-pentoxy-2,3-dihydroinden-1-one
CID 104986088
5-(4-methoxyphenyl)-2,3-dihydroinden-1-one
CID 11149112
[1-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]-2-methylpropan-2-yl] butanoate
CID 67465023
2-[3-hydroxy-2-methoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]ethyl cyclopentanecarboxylate
CID 118964820
[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenyl] acetate
CID 89420952
butyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]-2-methylpropanoate
CID 67465504
5-(2-methylpentoxy)-2,3-dihydroinden-1-one
CID 107684058
2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]ethyl 2-cyclopentylacetate
CID 67468808
6-(4-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 169410334
2,2-dimethylpropyl 3-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]-2,2-dimethylpropanoate
CID 67465118

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethyl-2-propoxyphenyl)-2,3-dihydroinden-1-one?
The IUPAC name of 5-(3,4-dimethyl-2-propoxyphenyl)-2,3-dihydroinden-1-one (CID 118964821) is 5-(3,4-dimethyl-2-propoxyphenyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-(3,4-dimethyl-2-propoxyphenyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 5-(3,4-dimethyl-2-propoxyphenyl)-2,3-dihydroinden-1-one is CCCOc1c(-c2ccc3c(c2)CCC3=O)ccc(C)c1C.
What is the InChIKey of 5-(3,4-dimethyl-2-propoxyphenyl)-2,3-dihydroinden-1-one?
The InChIKey is OQOSCXHGYQOTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-4-11-22-20-14(3)13(2)5-8-18(20)16-6-9-17-15(12-16)7-10-19(17)21/h5-6,8-9,12H,4,7,10-11H2,1-3H3.
What are the key properties of 5-(3,4-dimethyl-2-propoxyphenyl)-2,3-dihydroinden-1-one?
5-(3,4-dimethyl-2-propoxyphenyl)-2,3-dihydroinden-1-one has a molecular weight of 294.39 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethyl-2-propoxyphenyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 118964821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).