5-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)ethyl]-2-methoxyphenol

C18H26O2 — CID 10308227

IUPAC5-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)ethyl]-2-methoxyphenol
SMILESCOc1ccc(CCC2CCCC3CCCC32)cc1O
InChIInChI=1S/C18H26O2/c1-20-18-11-9-13(12-17(18)19)8-10-15-5-2-4-14-6-3-7-16(14)15/h9,11-12,14-16,19H,2-8,10H2,1H3
InChIKeyDOLKNSODAADPFD-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.55
Rot. Bonds4

About 5-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)ethyl]-2-methoxyphenol

5-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)ethyl]-2-methoxyphenol (PubChem CID 10308227) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 5-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)ethyl]-2-methoxyphenol
PubChem CID10308227
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name5-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)ethyl]-2-methoxyphenol
SMILESCOc1ccc(CCC2CCCC3CCCC32)cc1O
InChIInChI=1S/C18H26O2/c1-20-18-11-9-13(12-17(18)19)8-10-15-5-2-4-14-6-3-7-16(14)15/h9,11-12,14-16,19H,2-8,10H2,1H3
InChIKeyDOLKNSODAADPFD-UHFFFAOYSA-N
XLogP4.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)ethyl]-2-methoxyphenol?
The IUPAC name of 5-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)ethyl]-2-methoxyphenol (CID 10308227) is 5-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)ethyl]-2-methoxyphenol.
What is the SMILES notation for 5-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)ethyl]-2-methoxyphenol?
The canonical SMILES for 5-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)ethyl]-2-methoxyphenol is COc1ccc(CCC2CCCC3CCCC32)cc1O.
What is the InChIKey of 5-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)ethyl]-2-methoxyphenol?
The InChIKey is DOLKNSODAADPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-20-18-11-9-13(12-17(18)19)8-10-15-5-2-4-14-6-3-7-16(14)15/h9,11-12,14-16,19H,2-8,10H2,1H3.
What are the key properties of 5-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)ethyl]-2-methoxyphenol?
5-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)ethyl]-2-methoxyphenol has a molecular weight of 274.40 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)ethyl]-2-methoxyphenol is sourced from PubChem (CID 10308227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).