3-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-ol

C16H20O2 — CID 79837338

IUPAC3-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-ol
SMILESCOc1ccc(C(C)(C)CCO)c2ccccc12
InChIInChI=1S/C16H20O2/c1-16(2,10-11-17)14-8-9-15(18-3)13-7-5-4-6-12(13)14/h4-9,17H,10-11H2,1-3H3
InChIKeyCEYPOGSYHVVURS-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.51
Rot. Bonds4

About 3-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-ol

3-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-ol (PubChem CID 79837338) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-ol
PubChem CID79837338
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name3-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-ol
SMILESCOc1ccc(C(C)(C)CCO)c2ccccc12
InChIInChI=1S/C16H20O2/c1-16(2,10-11-17)14-8-9-15(18-3)13-7-5-4-6-12(13)14/h4-9,17H,10-11H2,1-3H3
InChIKeyCEYPOGSYHVVURS-UHFFFAOYSA-N
XLogP3.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-(2,3,4-trimethoxyphenyl)butan-1-ol
CID 79837719
3-(4-bromonaphthalen-1-yl)-3-methylbutan-1-ol
CID 79838004
3-(4-fluoronaphthalen-1-yl)-3-methylbutan-1-ol
CID 79838193
1-(4-bromo-2-methylbutan-2-yl)-2,3,4-trimethoxybenzene
CID 79837541
2-(5-methoxynaphthalen-1-yl)-2-methylpropan-1-amine
CID 105487005
[2-(4-hydroxy-2-methylbutan-2-yl)phenyl] acetate
CID 122589207
2-(5-methoxynaphthalen-1-yl)propan-2-amine
CID 105468872
1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol
CID 61101734
2-(hydroxymethyl)-2-[(4-methoxynaphthalen-1-yl)methylamino]propane-1,3-diol
CID 107850406
1-(4-methoxynaphthalen-1-yl)propane-1,2,3-triol
CID 170818647
2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117389312
2-(2-ethoxy-3-methoxyphenyl)-2-methylpropan-1-ol
CID 117322280

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-ol?
The IUPAC name of 3-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-ol (CID 79837338) is 3-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 3-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-ol?
The canonical SMILES for 3-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-ol is COc1ccc(C(C)(C)CCO)c2ccccc12.
What is the InChIKey of 3-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-ol?
The InChIKey is CEYPOGSYHVVURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-16(2,10-11-17)14-8-9-15(18-3)13-7-5-4-6-12(13)14/h4-9,17H,10-11H2,1-3H3.
What are the key properties of 3-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-ol?
3-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-ol has a molecular weight of 244.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 79837338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).