5-[(3,5-dimethylphenyl)methoxy]-2,3-dihydroinden-1-one

C18H18O2 — CID 107684168

IUPAC5-[(3,5-dimethylphenyl)methoxy]-2,3-dihydroinden-1-one
SMILESCc1cc(C)cc(COc2ccc3c(c2)CCC3=O)c1
InChIInChI=1S/C18H18O2/c1-12-7-13(2)9-14(8-12)11-20-16-4-5-17-15(10-16)3-6-18(17)19/h4-5,7-10H,3,6,11H2,1-2H3
InChIKeyRWKJZJZZXJPNJP-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.01
Rot. Bonds3

About 5-[(3,5-dimethylphenyl)methoxy]-2,3-dihydroinden-1-one

5-[(3,5-dimethylphenyl)methoxy]-2,3-dihydroinden-1-one (PubChem CID 107684168) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-[(3,5-dimethylphenyl)methoxy]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-[(3,5-dimethylphenyl)methoxy]-2,3-dihydroinden-1-one
PubChem CID107684168
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name5-[(3,5-dimethylphenyl)methoxy]-2,3-dihydroinden-1-one
SMILESCc1cc(C)cc(COc2ccc3c(c2)CCC3=O)c1
InChIInChI=1S/C18H18O2/c1-12-7-13(2)9-14(8-12)11-20-16-4-5-17-15(10-16)3-6-18(17)19/h4-5,7-10H,3,6,11H2,1-2H3
InChIKeyRWKJZJZZXJPNJP-UHFFFAOYSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 54107064
5-(ethoxymethoxy)-2,3-dihydroinden-1-one
CID 104986117
5-pentoxy-2,3-dihydroinden-1-one
CID 104986088
5-[(3-nitrophenyl)methoxy]-2,3-dihydroinden-1-one
CID 104982102
5-(2-hydroxy-2-methylpropoxy)-2,3-dihydroinden-1-one
CID 104985826
5-(3-phenylpropoxy)-2,3-dihydroinden-1-one
CID 104986122
5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]-2,3-dihydroinden-1-one
CID 107684192
5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2,3-dihydroinden-1-one
CID 107684157
5-(2-ethyl-2-hydroxybutoxy)-2,3-dihydroinden-1-one
CID 104985833
5-(2-thiophen-3-ylethoxy)-2,3-dihydroinden-1-one
CID 102670879
6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 139435678
5-[(2-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-one
CID 107684090

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylphenyl)methoxy]-2,3-dihydroinden-1-one?
The IUPAC name of 5-[(3,5-dimethylphenyl)methoxy]-2,3-dihydroinden-1-one (CID 107684168) is 5-[(3,5-dimethylphenyl)methoxy]-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-[(3,5-dimethylphenyl)methoxy]-2,3-dihydroinden-1-one?
The canonical SMILES for 5-[(3,5-dimethylphenyl)methoxy]-2,3-dihydroinden-1-one is Cc1cc(C)cc(COc2ccc3c(c2)CCC3=O)c1.
What is the InChIKey of 5-[(3,5-dimethylphenyl)methoxy]-2,3-dihydroinden-1-one?
The InChIKey is RWKJZJZZXJPNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-12-7-13(2)9-14(8-12)11-20-16-4-5-17-15(10-16)3-6-18(17)19/h4-5,7-10H,3,6,11H2,1-2H3.
What are the key properties of 5-[(3,5-dimethylphenyl)methoxy]-2,3-dihydroinden-1-one?
5-[(3,5-dimethylphenyl)methoxy]-2,3-dihydroinden-1-one has a molecular weight of 266.34 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylphenyl)methoxy]-2,3-dihydroinden-1-one is sourced from PubChem (CID 107684168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).