2-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol

C14H20O2 — CID 79424093

IUPAC2-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOCC(C)C1CCc2ccccc2C1O
InChIInChI=1S/C14H20O2/c1-10(9-16-2)12-8-7-11-5-3-4-6-13(11)14(12)15/h3-6,10,12,14-15H,7-9H2,1-2H3
InChIKeyUNXSBHHFNYKAMK-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.56
Rot. Bonds3

About 2-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol

2-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 79424093) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID79424093
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOCC(C)C1CCc2ccccc2C1O
InChIInChI=1S/C14H20O2/c1-10(9-16-2)12-8-7-11-5-3-4-6-13(11)14(12)15/h3-6,10,12,14-15H,7-9H2,1-2H3
InChIKeyUNXSBHHFNYKAMK-UHFFFAOYSA-N
XLogP2.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 79424093) is 2-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol is COCC(C)C1CCc2ccccc2C1O.
What is the InChIKey of 2-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is UNXSBHHFNYKAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-10(9-16-2)12-8-7-11-5-3-4-6-13(11)14(12)15/h3-6,10,12,14-15H,7-9H2,1-2H3.
What are the key properties of 2-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol?
2-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 220.31 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 79424093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).