2-(2-methylpentoxy)-1-naphthalen-1-ylethanol

C18H24O2 — CID 103284745

IUPAC2-(2-methylpentoxy)-1-naphthalen-1-ylethanol
SMILESCCCC(C)COCC(O)c1cccc2ccccc12
InChIInChI=1S/C18H24O2/c1-3-7-14(2)12-20-13-18(19)17-11-6-9-15-8-4-5-10-16(15)17/h4-6,8-11,14,18-19H,3,7,12-13H2,1-2H3
InChIKeyAHKLAERRZKLCOP-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.33
Rot. Bonds7

About 2-(2-methylpentoxy)-1-naphthalen-1-ylethanol

2-(2-methylpentoxy)-1-naphthalen-1-ylethanol (PubChem CID 103284745) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(2-methylpentoxy)-1-naphthalen-1-ylethanol.

Molecular Properties

Compound Name2-(2-methylpentoxy)-1-naphthalen-1-ylethanol
PubChem CID103284745
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name2-(2-methylpentoxy)-1-naphthalen-1-ylethanol
SMILESCCCC(C)COCC(O)c1cccc2ccccc12
InChIInChI=1S/C18H24O2/c1-3-7-14(2)12-20-13-18(19)17-11-6-9-15-8-4-5-10-16(15)17/h4-6,8-11,14,18-19H,3,7,12-13H2,1-2H3
InChIKeyAHKLAERRZKLCOP-UHFFFAOYSA-N
XLogP4.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-hydroxy-2-naphthalen-1-ylethoxy)methoxy]-1-naphthalen-1-ylethanol
CID 67658257
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
1-[1-(2-naphthalen-1-ylpropoxy)propan-2-yl]naphthalene
CID 69118835
3-(2-methylpentoxy)-1-phenylpropan-1-ol
CID 103284714
(1S)-1-naphthalen-1-ylpropane-1,3-diol
CID 154706330
1-isoquinolin-4-yl-2-propoxyethanol
CID 63938415
butane;1-propan-2-ylnaphthalene
CID 157253186
5-methoxy-1-naphthalen-1-ylpentan-1-ol
CID 112754213
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
2-(2-methylpentoxy)-1-phenylethanamine
CID 103283488
2-butan-2-ylsulfanyl-1-naphthalen-1-ylethanol
CID 65136052
butyl-(3-hydroxy-3-naphthalen-1-ylpropyl)-dimethylazanium iodide
CID 158490821

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentoxy)-1-naphthalen-1-ylethanol?
The IUPAC name of 2-(2-methylpentoxy)-1-naphthalen-1-ylethanol (CID 103284745) is 2-(2-methylpentoxy)-1-naphthalen-1-ylethanol.
What is the SMILES notation for 2-(2-methylpentoxy)-1-naphthalen-1-ylethanol?
The canonical SMILES for 2-(2-methylpentoxy)-1-naphthalen-1-ylethanol is CCCC(C)COCC(O)c1cccc2ccccc12.
What is the InChIKey of 2-(2-methylpentoxy)-1-naphthalen-1-ylethanol?
The InChIKey is AHKLAERRZKLCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-3-7-14(2)12-20-13-18(19)17-11-6-9-15-8-4-5-10-16(15)17/h4-6,8-11,14,18-19H,3,7,12-13H2,1-2H3.
What are the key properties of 2-(2-methylpentoxy)-1-naphthalen-1-ylethanol?
2-(2-methylpentoxy)-1-naphthalen-1-ylethanol has a molecular weight of 272.39 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentoxy)-1-naphthalen-1-ylethanol is sourced from PubChem (CID 103284745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).