4',7'-dimethoxyspiro[cyclopentane-1,1'-indene]

C15H18O2 — CID 118314361

IUPAC4',7'-dimethoxyspiro[cyclopentane-1,1'-indene]
SMILESCOc1ccc(OC)c2c1C=CC21CCCC1
InChIInChI=1S/C15H18O2/c1-16-12-5-6-13(17-2)14-11(12)7-10-15(14)8-3-4-9-15/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyHMZNDHSTAAWWDM-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.54
Rot. Bonds2

About 4',7'-dimethoxyspiro[cyclopentane-1,1'-indene]

4',7'-dimethoxyspiro[cyclopentane-1,1'-indene] (PubChem CID 118314361) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4',7'-dimethoxyspiro[cyclopentane-1,1'-indene].

Molecular Properties

Compound Name4',7'-dimethoxyspiro[cyclopentane-1,1'-indene]
PubChem CID118314361
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name4',7'-dimethoxyspiro[cyclopentane-1,1'-indene]
SMILESCOc1ccc(OC)c2c1C=CC21CCCC1
InChIInChI=1S/C15H18O2/c1-16-12-5-6-13(17-2)14-11(12)7-10-15(14)8-3-4-9-15/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyHMZNDHSTAAWWDM-UHFFFAOYSA-N
XLogP3.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4',7'-dimethoxyspiro[cyclopentane-1,1'-indene]?
The IUPAC name of 4',7'-dimethoxyspiro[cyclopentane-1,1'-indene] (CID 118314361) is 4',7'-dimethoxyspiro[cyclopentane-1,1'-indene].
What is the SMILES notation for 4',7'-dimethoxyspiro[cyclopentane-1,1'-indene]?
The canonical SMILES for 4',7'-dimethoxyspiro[cyclopentane-1,1'-indene] is COc1ccc(OC)c2c1C=CC21CCCC1.
What is the InChIKey of 4',7'-dimethoxyspiro[cyclopentane-1,1'-indene]?
The InChIKey is HMZNDHSTAAWWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-16-12-5-6-13(17-2)14-11(12)7-10-15(14)8-3-4-9-15/h5-7,10H,3-4,8-9H2,1-2H3.
What are the key properties of 4',7'-dimethoxyspiro[cyclopentane-1,1'-indene]?
4',7'-dimethoxyspiro[cyclopentane-1,1'-indene] has a molecular weight of 230.31 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4',7'-dimethoxyspiro[cyclopentane-1,1'-indene] is sourced from PubChem (CID 118314361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).