(2-ethyl-3H-inden-1-yl)-(4-methoxy-3,5-dimethylphenyl)methanone

C21H22O2 — CID 23568973

IUPAC(2-ethyl-3H-inden-1-yl)-(4-methoxy-3,5-dimethylphenyl)methanone
SMILESCCC1=C(C(=O)c2cc(C)c(OC)c(C)c2)c2ccccc2C1
InChIInChI=1S/C21H22O2/c1-5-15-12-16-8-6-7-9-18(16)19(15)20(22)17-10-13(2)21(23-4)14(3)11-17/h6-11H,5,12H2,1-4H3
InChIKeyMQCXGWNYXMOLDV-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.91
Rot. Bonds4

About (2-ethyl-3H-inden-1-yl)-(4-methoxy-3,5-dimethylphenyl)methanone

(2-ethyl-3H-inden-1-yl)-(4-methoxy-3,5-dimethylphenyl)methanone (PubChem CID 23568973) has the molecular formula C21H22O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2-ethyl-3H-inden-1-yl)-(4-methoxy-3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(2-ethyl-3H-inden-1-yl)-(4-methoxy-3,5-dimethylphenyl)methanone
PubChem CID23568973
Molecular FormulaC21H22O2
Molecular Weight306.41 g/mol
Exact Mass306.16
IUPAC Name(2-ethyl-3H-inden-1-yl)-(4-methoxy-3,5-dimethylphenyl)methanone
SMILESCCC1=C(C(=O)c2cc(C)c(OC)c(C)c2)c2ccccc2C1
InChIInChI=1S/C21H22O2/c1-5-15-12-16-8-6-7-9-18(16)19(15)20(22)17-10-13(2)21(23-4)14(3)11-17/h6-11H,5,12H2,1-4H3
InChIKeyMQCXGWNYXMOLDV-UHFFFAOYSA-N
XLogP4.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethyl-3H-inden-1-yl)-(4-methoxy-3,5-dimethylphenyl)methanone;tungsten(2+)
CID 23568972
(4-ethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83057344
(3-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 2756950
[4-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenyl] benzoate
CID 23593069
(4-methoxy-3,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 83043829
(4-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 2756951
9H-fluorene;propanoic acid
CID 67831567
(5-chlorofuran-2-yl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 106683883
ethane;9H-fluorene;propanoic acid
CID 90836645
(3-amino-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83068741
(2,6-difluoro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044009
1,2,3-trimethoxy-4-propyl-9H-fluorene
CID 150563625

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-3H-inden-1-yl)-(4-methoxy-3,5-dimethylphenyl)methanone?
The IUPAC name of (2-ethyl-3H-inden-1-yl)-(4-methoxy-3,5-dimethylphenyl)methanone (CID 23568973) is (2-ethyl-3H-inden-1-yl)-(4-methoxy-3,5-dimethylphenyl)methanone.
What is the SMILES notation for (2-ethyl-3H-inden-1-yl)-(4-methoxy-3,5-dimethylphenyl)methanone?
The canonical SMILES for (2-ethyl-3H-inden-1-yl)-(4-methoxy-3,5-dimethylphenyl)methanone is CCC1=C(C(=O)c2cc(C)c(OC)c(C)c2)c2ccccc2C1.
What is the InChIKey of (2-ethyl-3H-inden-1-yl)-(4-methoxy-3,5-dimethylphenyl)methanone?
The InChIKey is MQCXGWNYXMOLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O2/c1-5-15-12-16-8-6-7-9-18(16)19(15)20(22)17-10-13(2)21(23-4)14(3)11-17/h6-11H,5,12H2,1-4H3.
What are the key properties of (2-ethyl-3H-inden-1-yl)-(4-methoxy-3,5-dimethylphenyl)methanone?
(2-ethyl-3H-inden-1-yl)-(4-methoxy-3,5-dimethylphenyl)methanone has a molecular weight of 306.41 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-3H-inden-1-yl)-(4-methoxy-3,5-dimethylphenyl)methanone is sourced from PubChem (CID 23568973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).