7-methoxy-2-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-indene

C14H22O — CID 142307102

IUPAC7-methoxy-2-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-indene
SMILESCOC1=CCCC2=C1CC(CC(C)C)C2
InChIInChI=1S/C14H22O/c1-10(2)7-11-8-12-5-4-6-14(15-3)13(12)9-11/h6,10-11H,4-5,7-9H2,1-3H3
InChIKeyDLLNJHINVNGQFT-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.06
Rot. Bonds3

About 7-methoxy-2-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-indene

7-methoxy-2-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-indene (PubChem CID 142307102) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 7-methoxy-2-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-indene.

Molecular Properties

Compound Name7-methoxy-2-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-indene
PubChem CID142307102
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name7-methoxy-2-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-indene
SMILESCOC1=CCCC2=C1CC(CC(C)C)C2
InChIInChI=1S/C14H22O/c1-10(2)7-11-8-12-5-4-6-14(15-3)13(12)9-11/h6,10-11H,4-5,7-9H2,1-3H3
InChIKeyDLLNJHINVNGQFT-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-indene?
The IUPAC name of 7-methoxy-2-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-indene (CID 142307102) is 7-methoxy-2-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-indene.
What is the SMILES notation for 7-methoxy-2-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-indene?
The canonical SMILES for 7-methoxy-2-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-indene is COC1=CCCC2=C1CC(CC(C)C)C2.
What is the InChIKey of 7-methoxy-2-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-indene?
The InChIKey is DLLNJHINVNGQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-10(2)7-11-8-12-5-4-6-14(15-3)13(12)9-11/h6,10-11H,4-5,7-9H2,1-3H3.
What are the key properties of 7-methoxy-2-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-indene?
7-methoxy-2-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-indene has a molecular weight of 206.33 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-indene is sourced from PubChem (CID 142307102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).