[2-(3-methylbutoxy)naphthalen-1-yl]methanol

C16H20O2 — CID 43505713

IUPAC[2-(3-methylbutoxy)naphthalen-1-yl]methanol
SMILESCC(C)CCOc1ccc2ccccc2c1CO
InChIInChI=1S/C16H20O2/c1-12(2)9-10-18-16-8-7-13-5-3-4-6-14(13)15(16)11-17/h3-8,12,17H,9-11H2,1-2H3
InChIKeyODZNFWQHUCRGJS-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.76
Rot. Bonds5

About [2-(3-methylbutoxy)naphthalen-1-yl]methanol

[2-(3-methylbutoxy)naphthalen-1-yl]methanol (PubChem CID 43505713) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is [2-(3-methylbutoxy)naphthalen-1-yl]methanol.

Molecular Properties

Compound Name[2-(3-methylbutoxy)naphthalen-1-yl]methanol
PubChem CID43505713
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name[2-(3-methylbutoxy)naphthalen-1-yl]methanol
SMILESCC(C)CCOc1ccc2ccccc2c1CO
InChIInChI=1S/C16H20O2/c1-12(2)9-10-18-16-8-7-13-5-3-4-6-14(13)15(16)11-17/h3-8,12,17H,9-11H2,1-2H3
InChIKeyODZNFWQHUCRGJS-UHFFFAOYSA-N
XLogP3.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-propoxyethoxy)naphthalen-1-yl]methanol
CID 106453720
3-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-propan-2-ylpropanamide
CID 62626433
[2-(methoxymethoxy)naphthalen-1-yl]methanol
CID 65364950
3-[1-[(2-methylpropylamino)methyl]naphthalen-2-yl]oxypropan-1-ol
CID 63056266
[2-(difluoromethoxy)naphthalen-1-yl]methanol
CID 43394581
3-methyl-N-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine
CID 54848926
1-(4-methylpentoxy)naphthalene
CID 83168126
1-ethyl-2-propoxynaphthalene
CID 129259410
N,N-diethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxyacetamide
CID 43505758
[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methanol
CID 964391
1-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidine-3-carbohydrazide
CID 54848268
N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine
CID 63055930

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutoxy)naphthalen-1-yl]methanol?
The IUPAC name of [2-(3-methylbutoxy)naphthalen-1-yl]methanol (CID 43505713) is [2-(3-methylbutoxy)naphthalen-1-yl]methanol.
What is the SMILES notation for [2-(3-methylbutoxy)naphthalen-1-yl]methanol?
The canonical SMILES for [2-(3-methylbutoxy)naphthalen-1-yl]methanol is CC(C)CCOc1ccc2ccccc2c1CO.
What is the InChIKey of [2-(3-methylbutoxy)naphthalen-1-yl]methanol?
The InChIKey is ODZNFWQHUCRGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-12(2)9-10-18-16-8-7-13-5-3-4-6-14(13)15(16)11-17/h3-8,12,17H,9-11H2,1-2H3.
What are the key properties of [2-(3-methylbutoxy)naphthalen-1-yl]methanol?
[2-(3-methylbutoxy)naphthalen-1-yl]methanol has a molecular weight of 244.33 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutoxy)naphthalen-1-yl]methanol is sourced from PubChem (CID 43505713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).