1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene

C18H20O3 — CID 91416064

IUPAC1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene
SMILESCOc1cc(C2CCc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C18H20O3/c1-19-16-10-13(11-17(20-2)18(16)21-3)15-9-8-12-6-4-5-7-14(12)15/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyJQZKBYXCAKQMOW-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.79
Rot. Bonds4

About 1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene

1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene (PubChem CID 91416064) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene
PubChem CID91416064
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene
SMILESCOc1cc(C2CCc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C18H20O3/c1-19-16-10-13(11-17(20-2)18(16)21-3)15-9-8-12-6-4-5-7-14(12)15/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyJQZKBYXCAKQMOW-UHFFFAOYSA-N
XLogP3.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene?
The IUPAC name of 1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene (CID 91416064) is 1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene?
The canonical SMILES for 1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene is COc1cc(C2CCc3ccccc32)cc(OC)c1OC.
What is the InChIKey of 1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene?
The InChIKey is JQZKBYXCAKQMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-19-16-10-13(11-17(20-2)18(16)21-3)15-9-8-12-6-4-5-7-14(12)15/h4-7,10-11,15H,8-9H2,1-3H3.
What are the key properties of 1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene?
1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene has a molecular weight of 284.36 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene is sourced from PubChem (CID 91416064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).