(2,3-dimethyl-3H-inden-1-yl)-(4-methoxyphenyl)methanone

C19H18O2 — CID 102031731

IUPAC(2,3-dimethyl-3H-inden-1-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2=C(C)C(C)c3ccccc32)cc1
InChIInChI=1S/C19H18O2/c1-12-13(2)18(17-7-5-4-6-16(12)17)19(20)14-8-10-15(21-3)11-9-14/h4-12H,1-3H3
InChIKeyRZTXIQKZALDLLF-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.47
Rot. Bonds3

About (2,3-dimethyl-3H-inden-1-yl)-(4-methoxyphenyl)methanone

(2,3-dimethyl-3H-inden-1-yl)-(4-methoxyphenyl)methanone (PubChem CID 102031731) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2,3-dimethyl-3H-inden-1-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2,3-dimethyl-3H-inden-1-yl)-(4-methoxyphenyl)methanone
PubChem CID102031731
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name(2,3-dimethyl-3H-inden-1-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2=C(C)C(C)c3ccccc32)cc1
InChIInChI=1S/C19H18O2/c1-12-13(2)18(17-7-5-4-6-16(12)17)19(20)14-8-10-15(21-3)11-9-14/h4-12H,1-3H3
InChIKeyRZTXIQKZALDLLF-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 51040
Anisindione
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4'-Methoxyacetophenone
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4'-Methoxychalcone
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1-(4-Methoxy-phenyl)-2-phenyl-ethane-1,2-dione
CID 31494
4,4'-Dimethoxybenzil
CID 71043
2-(4-Ethoxybenzylidene)-1-tetralone
CID 5702490
O-(p-Anisoyl)benzoic acid
CID 231963
1,2-Ethanedione, 1,2-bis(3-methoxyphenyl)-
CID 123493
4,4'-Dimethoxybenzoin
CID 95415
4-Methoxychalcone
CID 641819
6-Methoxy-alpha-tetralone
CID 14112

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-3H-inden-1-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (2,3-dimethyl-3H-inden-1-yl)-(4-methoxyphenyl)methanone (CID 102031731) is (2,3-dimethyl-3H-inden-1-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (2,3-dimethyl-3H-inden-1-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (2,3-dimethyl-3H-inden-1-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2=C(C)C(C)c3ccccc32)cc1.
What is the InChIKey of (2,3-dimethyl-3H-inden-1-yl)-(4-methoxyphenyl)methanone?
The InChIKey is RZTXIQKZALDLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-12-13(2)18(17-7-5-4-6-16(12)17)19(20)14-8-10-15(21-3)11-9-14/h4-12H,1-3H3.
What are the key properties of (2,3-dimethyl-3H-inden-1-yl)-(4-methoxyphenyl)methanone?
(2,3-dimethyl-3H-inden-1-yl)-(4-methoxyphenyl)methanone has a molecular weight of 278.35 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-3H-inden-1-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 102031731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).