2-(1-methoxynaphthalen-2-yl)-3-methylbutan-2-ol

C16H20O2 — CID 53255240

IUPAC2-(1-methoxynaphthalen-2-yl)-3-methylbutan-2-ol
SMILESCOc1c(C(C)(O)C(C)C)ccc2ccccc12
InChIInChI=1S/C16H20O2/c1-11(2)16(3,17)14-10-9-12-7-5-6-8-13(12)15(14)18-4/h5-11,17H,1-4H3
InChIKeySMFWBKXILYSPOK-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.71
Rot. Bonds3

About 2-(1-methoxynaphthalen-2-yl)-3-methylbutan-2-ol

2-(1-methoxynaphthalen-2-yl)-3-methylbutan-2-ol (PubChem CID 53255240) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-(1-methoxynaphthalen-2-yl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name2-(1-methoxynaphthalen-2-yl)-3-methylbutan-2-ol
PubChem CID53255240
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name2-(1-methoxynaphthalen-2-yl)-3-methylbutan-2-ol
SMILESCOc1c(C(C)(O)C(C)C)ccc2ccccc12
InChIInChI=1S/C16H20O2/c1-11(2)16(3,17)14-10-9-12-7-5-6-8-13(12)15(14)18-4/h5-11,17H,1-4H3
InChIKeySMFWBKXILYSPOK-UHFFFAOYSA-N
XLogP3.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-naphthalen-1-ylbutan-2-ol
CID 11830817
2-tert-butyl-1-methoxynaphthalene
CID 169287795
1,1,1-trifluoro-4-(1-methoxynaphthalen-2-yl)-4-methyl-2-(quinolin-4-ylmethyl)pentan-2-ol
CID 22398612
(2S)-3-methyl-2-naphthalen-2-ylbutan-2-ol
CID 94601218
3-hydroxy-3-naphthalen-1-yl-2-propan-2-ylbutanoic acid
CID 62399048
sodium 1-methoxynaphthalen-2-olate
CID 139799062
methyl (2R)-2-[(1R)-1-hydroxy-1-naphthalen-1-ylethyl]but-3-enoate
CID 101424869
1-(1-propan-2-yloxynaphthalen-2-yl)ethanol
CID 43504390
2-(hydroxysulfanylmethyl)-1-methoxynaphthalene
CID 166953563
(1-methoxynaphthalen-2-yl)-trimethylsilane
CID 15173794
1-(2-methoxynaphthalen-1-yl)-3-methylbutan-1-ol
CID 63895549
4-(1-methoxynaphthalen-2-yl)-4-oxobutanoic acid
CID 19782206

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxynaphthalen-2-yl)-3-methylbutan-2-ol?
The IUPAC name of 2-(1-methoxynaphthalen-2-yl)-3-methylbutan-2-ol (CID 53255240) is 2-(1-methoxynaphthalen-2-yl)-3-methylbutan-2-ol.
What is the SMILES notation for 2-(1-methoxynaphthalen-2-yl)-3-methylbutan-2-ol?
The canonical SMILES for 2-(1-methoxynaphthalen-2-yl)-3-methylbutan-2-ol is COc1c(C(C)(O)C(C)C)ccc2ccccc12.
What is the InChIKey of 2-(1-methoxynaphthalen-2-yl)-3-methylbutan-2-ol?
The InChIKey is SMFWBKXILYSPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-11(2)16(3,17)14-10-9-12-7-5-6-8-13(12)15(14)18-4/h5-11,17H,1-4H3.
What are the key properties of 2-(1-methoxynaphthalen-2-yl)-3-methylbutan-2-ol?
2-(1-methoxynaphthalen-2-yl)-3-methylbutan-2-ol has a molecular weight of 244.33 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxynaphthalen-2-yl)-3-methylbutan-2-ol is sourced from PubChem (CID 53255240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).