(1S)-3-methoxy-1,4-dimethyl-1H-indene

C12H14O — CID 130220443

IUPAC(1S)-3-methoxy-1,4-dimethyl-1H-indene
SMILESCOC1=C[C@H](C)c2cccc(C)c21
InChIInChI=1S/C12H14O/c1-8-5-4-6-10-9(2)7-11(13-3)12(8)10/h4-7,9H,1-3H3/t9-/m0/s1
InChIKeyAHNUKHDCZIYSOX-VIFPVBQESA-N
MW174.24 g/mol
LogP3.10
Rot. Bonds1

About (1S)-3-methoxy-1,4-dimethyl-1H-indene

(1S)-3-methoxy-1,4-dimethyl-1H-indene (PubChem CID 130220443) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is (1S)-3-methoxy-1,4-dimethyl-1H-indene.

Molecular Properties

Compound Name(1S)-3-methoxy-1,4-dimethyl-1H-indene
PubChem CID130220443
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name(1S)-3-methoxy-1,4-dimethyl-1H-indene
SMILESCOC1=C[C@H](C)c2cccc(C)c21
InChIInChI=1S/C12H14O/c1-8-5-4-6-10-9(2)7-11(13-3)12(8)10/h4-7,9H,1-3H3/t9-/m0/s1
InChIKeyAHNUKHDCZIYSOX-VIFPVBQESA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-3-methoxy-1,4-dimethyl-1H-indene?
The IUPAC name of (1S)-3-methoxy-1,4-dimethyl-1H-indene (CID 130220443) is (1S)-3-methoxy-1,4-dimethyl-1H-indene.
What is the SMILES notation for (1S)-3-methoxy-1,4-dimethyl-1H-indene?
The canonical SMILES for (1S)-3-methoxy-1,4-dimethyl-1H-indene is COC1=C[C@H](C)c2cccc(C)c21.
What is the InChIKey of (1S)-3-methoxy-1,4-dimethyl-1H-indene?
The InChIKey is AHNUKHDCZIYSOX-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14O/c1-8-5-4-6-10-9(2)7-11(13-3)12(8)10/h4-7,9H,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-3-methoxy-1,4-dimethyl-1H-indene?
(1S)-3-methoxy-1,4-dimethyl-1H-indene has a molecular weight of 174.24 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-methoxy-1,4-dimethyl-1H-indene is sourced from PubChem (CID 130220443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).