2-hydroxy-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one

C14H20O2 — CID 101417133

IUPAC2-hydroxy-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one
SMILESCC1=CC2=C(CCCC2C(C)C)C(=O)C1O
InChIInChI=1S/C14H20O2/c1-8(2)10-5-4-6-11-12(10)7-9(3)13(15)14(11)16/h7-8,10,13,15H,4-6H2,1-3H3
InChIKeyNNEHDUOJTAOAKG-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.63
Rot. Bonds1

About 2-hydroxy-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one

2-hydroxy-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one (PubChem CID 101417133) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-hydroxy-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one
PubChem CID101417133
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-hydroxy-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one
SMILESCC1=CC2=C(CCCC2C(C)C)C(=O)C1O
InChIInChI=1S/C14H20O2/c1-8(2)10-5-4-6-11-12(10)7-9(3)13(15)14(11)16/h7-8,10,13,15H,4-6H2,1-3H3
InChIKeyNNEHDUOJTAOAKG-UHFFFAOYSA-N
XLogP2.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one?
The IUPAC name of 2-hydroxy-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one (CID 101417133) is 2-hydroxy-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-hydroxy-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one?
The canonical SMILES for 2-hydroxy-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one is CC1=CC2=C(CCCC2C(C)C)C(=O)C1O.
What is the InChIKey of 2-hydroxy-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one?
The InChIKey is NNEHDUOJTAOAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-8(2)10-5-4-6-11-12(10)7-9(3)13(15)14(11)16/h7-8,10,13,15H,4-6H2,1-3H3.
What are the key properties of 2-hydroxy-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one?
2-hydroxy-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one has a molecular weight of 220.31 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one is sourced from PubChem (CID 101417133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).