2,3-dihydro-1H-inden-2-yl-(4-methoxy-3-methylphenyl)methanone

C18H18O2 — CID 106892565

IUPAC2,3-dihydro-1H-inden-2-yl-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)C2Cc3ccccc3C2)cc1C
InChIInChI=1S/C18H18O2/c1-12-9-15(7-8-17(12)20-2)18(19)16-10-13-5-3-4-6-14(13)11-16/h3-9,16H,10-11H2,1-2H3
InChIKeyYJNKZSKEHBKLFV-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.60
Rot. Bonds3

About 2,3-dihydro-1H-inden-2-yl-(4-methoxy-3-methylphenyl)methanone

2,3-dihydro-1H-inden-2-yl-(4-methoxy-3-methylphenyl)methanone (PubChem CID 106892565) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl-(4-methoxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yl-(4-methoxy-3-methylphenyl)methanone
PubChem CID106892565
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name2,3-dihydro-1H-inden-2-yl-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)C2Cc3ccccc3C2)cc1C
InChIInChI=1S/C18H18O2/c1-12-9-15(7-8-17(12)20-2)18(19)16-10-13-5-3-4-6-14(13)11-16/h3-9,16H,10-11H2,1-2H3
InChIKeyYJNKZSKEHBKLFV-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106892546
(3-aminocyclobutyl)-(4-methoxy-3-methylphenyl)methanone
CID 116917663
4-(4-methoxy-3-methylbenzoyl)cyclohexan-1-one
CID 116920244
(3-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107126417
(4-methoxy-3-methylphenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917590
(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-(4-methoxy-3-methylphenyl)methanone
CID 171947236
(4-chloro-3-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 79697699
2,3-dihydro-1H-inden-2-yl-(2,4-dimethoxyphenyl)methanone
CID 65406839
2,3-dihydro-1H-inden-2-yl-(5-methylfuran-3-yl)methanone
CID 106893079
ethyl 2-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]acetate
CID 71226501
4-methoxy-3-methylbenzoyl cyanide
CID 116918931
tert-butyl 3-(4-methoxy-3-methylbenzoyl)piperidine-1-carboxylate
CID 122359770

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl-(4-methoxy-3-methylphenyl)methanone?
The IUPAC name of 2,3-dihydro-1H-inden-2-yl-(4-methoxy-3-methylphenyl)methanone (CID 106892565) is 2,3-dihydro-1H-inden-2-yl-(4-methoxy-3-methylphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl-(4-methoxy-3-methylphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yl-(4-methoxy-3-methylphenyl)methanone is COc1ccc(C(=O)C2Cc3ccccc3C2)cc1C.
What is the InChIKey of 2,3-dihydro-1H-inden-2-yl-(4-methoxy-3-methylphenyl)methanone?
The InChIKey is YJNKZSKEHBKLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-12-9-15(7-8-17(12)20-2)18(19)16-10-13-5-3-4-6-14(13)11-16/h3-9,16H,10-11H2,1-2H3.
What are the key properties of 2,3-dihydro-1H-inden-2-yl-(4-methoxy-3-methylphenyl)methanone?
2,3-dihydro-1H-inden-2-yl-(4-methoxy-3-methylphenyl)methanone has a molecular weight of 266.34 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-yl-(4-methoxy-3-methylphenyl)methanone is sourced from PubChem (CID 106892565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).