5-methoxy-2,2,4-trimethyl-7-propan-2-yl-1,3-dihydroindene

C16H24O — CID 11746525

IUPAC5-methoxy-2,2,4-trimethyl-7-propan-2-yl-1,3-dihydroindene
SMILESCOc1cc(C(C)C)c2c(c1C)CC(C)(C)C2
InChIInChI=1S/C16H24O/c1-10(2)12-7-15(17-6)11(3)13-8-16(4,5)9-14(12)13/h7,10H,8-9H2,1-6H3
InChIKeyBQGJWBHVKUSUKV-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.25
Rot. Bonds2

About 5-methoxy-2,2,4-trimethyl-7-propan-2-yl-1,3-dihydroindene

5-methoxy-2,2,4-trimethyl-7-propan-2-yl-1,3-dihydroindene (PubChem CID 11746525) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 5-methoxy-2,2,4-trimethyl-7-propan-2-yl-1,3-dihydroindene.

Molecular Properties

Compound Name5-methoxy-2,2,4-trimethyl-7-propan-2-yl-1,3-dihydroindene
PubChem CID11746525
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name5-methoxy-2,2,4-trimethyl-7-propan-2-yl-1,3-dihydroindene
SMILESCOc1cc(C(C)C)c2c(c1C)CC(C)(C)C2
InChIInChI=1S/C16H24O/c1-10(2)12-7-15(17-6)11(3)13-8-16(4,5)9-14(12)13/h7,10H,8-9H2,1-6H3
InChIKeyBQGJWBHVKUSUKV-UHFFFAOYSA-N
XLogP4.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-methoxy-5-methyl-2-propan-2-ylaniline;hydrochloride
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CID 170093989

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,2,4-trimethyl-7-propan-2-yl-1,3-dihydroindene?
The IUPAC name of 5-methoxy-2,2,4-trimethyl-7-propan-2-yl-1,3-dihydroindene (CID 11746525) is 5-methoxy-2,2,4-trimethyl-7-propan-2-yl-1,3-dihydroindene.
What is the SMILES notation for 5-methoxy-2,2,4-trimethyl-7-propan-2-yl-1,3-dihydroindene?
The canonical SMILES for 5-methoxy-2,2,4-trimethyl-7-propan-2-yl-1,3-dihydroindene is COc1cc(C(C)C)c2c(c1C)CC(C)(C)C2.
What is the InChIKey of 5-methoxy-2,2,4-trimethyl-7-propan-2-yl-1,3-dihydroindene?
The InChIKey is BQGJWBHVKUSUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-10(2)12-7-15(17-6)11(3)13-8-16(4,5)9-14(12)13/h7,10H,8-9H2,1-6H3.
What are the key properties of 5-methoxy-2,2,4-trimethyl-7-propan-2-yl-1,3-dihydroindene?
5-methoxy-2,2,4-trimethyl-7-propan-2-yl-1,3-dihydroindene has a molecular weight of 232.37 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,2,4-trimethyl-7-propan-2-yl-1,3-dihydroindene is sourced from PubChem (CID 11746525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).