4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexan-1-one

C16H20O2 — CID 113414209

IUPAC4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexan-1-one
SMILESO=C1CCC(OCc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C16H20O2/c17-15-6-8-16(9-7-15)18-11-12-4-5-13-2-1-3-14(13)10-12/h4-5,10,16H,1-3,6-9,11H2
InChIKeyCSTQETGMDDKYCS-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.20
Rot. Bonds3

About 4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexan-1-one

4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexan-1-one (PubChem CID 113414209) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexan-1-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexan-1-one
PubChem CID113414209
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexan-1-one
SMILESO=C1CCC(OCc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C16H20O2/c17-15-6-8-16(9-7-15)18-11-12-4-5-13-2-1-3-14(13)10-12/h4-5,10,16H,1-3,6-9,11H2
InChIKeyCSTQETGMDDKYCS-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexan-1-one?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexan-1-one (CID 113414209) is 4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexan-1-one.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexan-1-one?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexan-1-one is O=C1CCC(OCc2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexan-1-one?
The InChIKey is CSTQETGMDDKYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c17-15-6-8-16(9-7-15)18-11-12-4-5-13-2-1-3-14(13)10-12/h4-5,10,16H,1-3,6-9,11H2.
What are the key properties of 4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexan-1-one?
4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexan-1-one has a molecular weight of 244.33 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexan-1-one is sourced from PubChem (CID 113414209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).