1-methoxy-2-methyl-4-(3-methylphenyl)-2,3-dihydro-1H-indene

C18H20O — CID 142515226

IUPAC1-methoxy-2-methyl-4-(3-methylphenyl)-2,3-dihydro-1H-indene
SMILESCOC1c2cccc(-c3cccc(C)c3)c2CC1C
InChIInChI=1S/C18H20O/c1-12-6-4-7-14(10-12)15-8-5-9-16-17(15)11-13(2)18(16)19-3/h4-10,13,18H,11H2,1-3H3
InChIKeyKZFZLDNVYRUJSM-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.54
Rot. Bonds2

About 1-methoxy-2-methyl-4-(3-methylphenyl)-2,3-dihydro-1H-indene

1-methoxy-2-methyl-4-(3-methylphenyl)-2,3-dihydro-1H-indene (PubChem CID 142515226) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-methoxy-2-methyl-4-(3-methylphenyl)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-methoxy-2-methyl-4-(3-methylphenyl)-2,3-dihydro-1H-indene
PubChem CID142515226
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name1-methoxy-2-methyl-4-(3-methylphenyl)-2,3-dihydro-1H-indene
SMILESCOC1c2cccc(-c3cccc(C)c3)c2CC1C
InChIInChI=1S/C18H20O/c1-12-6-4-7-14(10-12)15-8-5-9-16-17(15)11-13(2)18(16)19-3/h4-10,13,18H,11H2,1-3H3
InChIKeyKZFZLDNVYRUJSM-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-4-(3-methylphenyl)-2,3-dihydro-1H-indene?
The IUPAC name of 1-methoxy-2-methyl-4-(3-methylphenyl)-2,3-dihydro-1H-indene (CID 142515226) is 1-methoxy-2-methyl-4-(3-methylphenyl)-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-methoxy-2-methyl-4-(3-methylphenyl)-2,3-dihydro-1H-indene?
The canonical SMILES for 1-methoxy-2-methyl-4-(3-methylphenyl)-2,3-dihydro-1H-indene is COC1c2cccc(-c3cccc(C)c3)c2CC1C.
What is the InChIKey of 1-methoxy-2-methyl-4-(3-methylphenyl)-2,3-dihydro-1H-indene?
The InChIKey is KZFZLDNVYRUJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-12-6-4-7-14(10-12)15-8-5-9-16-17(15)11-13(2)18(16)19-3/h4-10,13,18H,11H2,1-3H3.
What are the key properties of 1-methoxy-2-methyl-4-(3-methylphenyl)-2,3-dihydro-1H-indene?
1-methoxy-2-methyl-4-(3-methylphenyl)-2,3-dihydro-1H-indene has a molecular weight of 252.36 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-4-(3-methylphenyl)-2,3-dihydro-1H-indene is sourced from PubChem (CID 142515226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).