2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol

C15H22O3 — CID 117379562

IUPAC2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCOc1cc(C(C)(C)CO)c(O)c2c1CCCC2
InChIInChI=1S/C15H22O3/c1-15(2,9-16)12-8-13(18-3)10-6-4-5-7-11(10)14(12)17/h8,16-17H,4-7,9H2,1-3H3
InChIKeyFKHTVHJYQDHGNL-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.55
Rot. Bonds3

About 2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol

2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 117379562) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID117379562
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCOc1cc(C(C)(C)CO)c(O)c2c1CCCC2
InChIInChI=1S/C15H22O3/c1-15(2,9-16)12-8-13(18-3)10-6-4-5-7-11(10)14(12)17/h8,16-17H,4-7,9H2,1-3H3
InChIKeyFKHTVHJYQDHGNL-UHFFFAOYSA-N
XLogP2.55
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol
CID 117379543
2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-6-methylphenol
CID 117300457
2-(5-ethoxy-2-methoxy-4-methylphenyl)-2-methylpropan-1-ol
CID 117349596
1-(1-hydroxy-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-one
CID 117340711
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117445820
2-(2,5-dichloro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82296791
2-(6-methoxy-1,3-benzodioxol-5-yl)-2-methylpropan-1-ol
CID 117321978
2-(1-aminoethyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117316674
3-amino-1-(1-hydroxy-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one
CID 117376253
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 117349580
2-(2-methoxy-4-methyl-5-methylsulfanylphenyl)-2-methylpropan-1-ol
CID 117353825
4-hydroxy-5-(1-hydroxy-2-methylpropan-2-yl)-2-methoxybenzonitrile
CID 117315555

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol (CID 117379562) is 2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol is COc1cc(C(C)(C)CO)c(O)c2c1CCCC2.
What is the InChIKey of 2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is FKHTVHJYQDHGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-15(2,9-16)12-8-13(18-3)10-6-4-5-7-11(10)14(12)17/h8,16-17H,4-7,9H2,1-3H3.
What are the key properties of 2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol?
2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 250.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 117379562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).