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

C16H20O2 — CID 63895549

IUPAC1-(2-methoxynaphthalen-1-yl)-3-methylbutan-1-ol
SMILESCOc1ccc2ccccc2c1C(O)CC(C)C
InChIInChI=1S/C16H20O2/c1-11(2)10-14(17)16-13-7-5-4-6-12(13)8-9-15(16)18-3/h4-9,11,14,17H,10H2,1-3H3
InChIKeyNQRZQMLLLAAVLR-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.93
Rot. Bonds4

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

1-(2-methoxynaphthalen-1-yl)-3-methylbutan-1-ol (PubChem CID 63895549) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-(2-methoxynaphthalen-1-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(2-methoxynaphthalen-1-yl)-3-methylbutan-1-ol
PubChem CID63895549
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name1-(2-methoxynaphthalen-1-yl)-3-methylbutan-1-ol
SMILESCOc1ccc2ccccc2c1C(O)CC(C)C
InChIInChI=1S/C16H20O2/c1-11(2)10-14(17)16-13-7-5-4-6-12(13)8-9-15(16)18-3/h4-9,11,14,17H,10H2,1-3H3
InChIKeyNQRZQMLLLAAVLR-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxynaphthalen-1-yl)-4-methylpentan-1-ol
CID 65146073
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CID 79566432
(1R,2S)-1-amino-1-(2-methoxynaphthalen-1-yl)-5-methylhexan-2-ol;hydrochloride
CID 171264846
1-(2-chloro-6-methoxyphenyl)-3-methylbutan-1-ol
CID 104817046
4-bromo-1-(2-methoxynaphthalen-1-yl)butane-1,2-diol
CID 171892817
(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanol
CID 708237
(2R)-1-(2-methoxynaphthalen-1-yl)propan-2-ol
CID 92532795
(1R)-1-(2-methoxynaphthalen-1-yl)-2-methylbutan-1-amine;hydrochloride
CID 171212960
2-(2-methoxynaphthalen-1-yl)-2-(methylamino)ethanol
CID 61055521
1-(2-methoxynaphthalen-1-yl)-2-piperazin-1-ylpropan-1-ol
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1-(diphenoxymethyl)-2-methoxynaphthalene
CID 140773856
2-[hydroxy-(2-methoxynaphthalen-1-yl)methyl]butanenitrile
CID 79130715

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxynaphthalen-1-yl)-3-methylbutan-1-ol?
The IUPAC name of 1-(2-methoxynaphthalen-1-yl)-3-methylbutan-1-ol (CID 63895549) is 1-(2-methoxynaphthalen-1-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 1-(2-methoxynaphthalen-1-yl)-3-methylbutan-1-ol?
The canonical SMILES for 1-(2-methoxynaphthalen-1-yl)-3-methylbutan-1-ol is COc1ccc2ccccc2c1C(O)CC(C)C.
What is the InChIKey of 1-(2-methoxynaphthalen-1-yl)-3-methylbutan-1-ol?
The InChIKey is NQRZQMLLLAAVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-11(2)10-14(17)16-13-7-5-4-6-12(13)8-9-15(16)18-3/h4-9,11,14,17H,10H2,1-3H3.
What are the key properties of 1-(2-methoxynaphthalen-1-yl)-3-methylbutan-1-ol?
1-(2-methoxynaphthalen-1-yl)-3-methylbutan-1-ol has a molecular weight of 244.33 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxynaphthalen-1-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 63895549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).