2-(1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)phenol

C16H22O — CID 175319688

IUPAC2-(1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)phenol
SMILESCC1CCC2CC(c3ccccc3O)CCC12
InChIInChI=1S/C16H22O/c1-11-6-7-12-10-13(8-9-14(11)12)15-4-2-3-5-16(15)17/h2-5,11-14,17H,6-10H2,1H3
InChIKeyNAMYGOWPJMXFGF-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.32
Rot. Bonds1

About 2-(1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)phenol

2-(1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)phenol (PubChem CID 175319688) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)phenol.

Molecular Properties

Compound Name2-(1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)phenol
PubChem CID175319688
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name2-(1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)phenol
SMILESCC1CCC2CC(c3ccccc3O)CCC12
InChIInChI=1S/C16H22O/c1-11-6-7-12-10-13(8-9-14(11)12)15-4-2-3-5-16(15)17/h2-5,11-14,17H,6-10H2,1H3
InChIKeyNAMYGOWPJMXFGF-UHFFFAOYSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)phenol?
The IUPAC name of 2-(1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)phenol (CID 175319688) is 2-(1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)phenol.
What is the SMILES notation for 2-(1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)phenol?
The canonical SMILES for 2-(1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)phenol is CC1CCC2CC(c3ccccc3O)CCC12.
What is the InChIKey of 2-(1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)phenol?
The InChIKey is NAMYGOWPJMXFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-11-6-7-12-10-13(8-9-14(11)12)15-4-2-3-5-16(15)17/h2-5,11-14,17H,6-10H2,1H3.
What are the key properties of 2-(1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)phenol?
2-(1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)phenol has a molecular weight of 230.35 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)phenol is sourced from PubChem (CID 175319688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).