1-(2-methoxyphenyl)hexan-2-ol

C13H20O2 — CID 62607835

IUPAC1-(2-methoxyphenyl)hexan-2-ol
SMILESCCCCC(O)Cc1ccccc1OC
InChIInChI=1S/C13H20O2/c1-3-4-8-12(14)10-11-7-5-6-9-13(11)15-2/h5-7,9,12,14H,3-4,8,10H2,1-2H3
InChIKeyLEWLKPKTSKDOCT-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.79
Rot. Bonds6

About 1-(2-methoxyphenyl)hexan-2-ol

1-(2-methoxyphenyl)hexan-2-ol (PubChem CID 62607835) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)hexan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyphenyl)hexan-2-ol
PubChem CID62607835
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(2-methoxyphenyl)hexan-2-ol
SMILESCCCCC(O)Cc1ccccc1OC
InChIInChI=1S/C13H20O2/c1-3-4-8-12(14)10-11-7-5-6-9-13(11)15-2/h5-7,9,12,14H,3-4,8,10H2,1-2H3
InChIKeyLEWLKPKTSKDOCT-UHFFFAOYSA-N
XLogP2.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyphenyl)-5-phenylpentan-2-ol
CID 62606153
1-(2-ethylhexyl)-2-methoxybenzene
CID 160716483
1-(2-methoxy-5-methylphenyl)decan-2-ol
CID 115781450
1-(5-bromo-2-methoxyphenyl)undecan-2-ol
CID 115779222
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanol
CID 63018829
1-(2-chloro-3-ethylheptyl)-2-methoxybenzene
CID 63544392
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol
CID 63018076
1-(2-chlorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61261227
1-(2-methoxyphenyl)-3-(methylamino)propan-2-ol
CID 64983172
1-(dimethylamino)-3-(2-methoxyphenyl)propan-2-ol
CID 79088057
1-(2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61263658

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)hexan-2-ol?
The IUPAC name of 1-(2-methoxyphenyl)hexan-2-ol (CID 62607835) is 1-(2-methoxyphenyl)hexan-2-ol.
What is the SMILES notation for 1-(2-methoxyphenyl)hexan-2-ol?
The canonical SMILES for 1-(2-methoxyphenyl)hexan-2-ol is CCCCC(O)Cc1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)hexan-2-ol?
The InChIKey is LEWLKPKTSKDOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-3-4-8-12(14)10-11-7-5-6-9-13(11)15-2/h5-7,9,12,14H,3-4,8,10H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)hexan-2-ol?
1-(2-methoxyphenyl)hexan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)hexan-2-ol is sourced from PubChem (CID 62607835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).