1-(2-methoxyphenyl)-3-methylpentan-2-ol

C13H20O2 — CID 63018266

IUPAC1-(2-methoxyphenyl)-3-methylpentan-2-ol
SMILESCCC(C)C(O)Cc1ccccc1OC
InChIInChI=1S/C13H20O2/c1-4-10(2)12(14)9-11-7-5-6-8-13(11)15-3/h5-8,10,12,14H,4,9H2,1-3H3
InChIKeyVZNXEOCUWRJIOL-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.64
Rot. Bonds5

About 1-(2-methoxyphenyl)-3-methylpentan-2-ol

1-(2-methoxyphenyl)-3-methylpentan-2-ol (PubChem CID 63018266) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-methylpentan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-methylpentan-2-ol
PubChem CID63018266
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(2-methoxyphenyl)-3-methylpentan-2-ol
SMILESCCC(C)C(O)Cc1ccccc1OC
InChIInChI=1S/C13H20O2/c1-4-10(2)12(14)9-11-7-5-6-8-13(11)15-3/h5-8,10,12,14H,4,9H2,1-3H3
InChIKeyVZNXEOCUWRJIOL-UHFFFAOYSA-N
XLogP2.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
1-cyclopropyl-3-(2-methoxyphenyl)propane-1,2-diol
CID 103456984
3-ethoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol
CID 116713469
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanol
CID 63018829
[(2R)-1-(2-methoxyphenyl)propan-2-yl]azanium
CID 7432380
1-(2-methoxyphenyl)hexan-2-ol
CID 62607835
2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 65487307
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
1-[2-(chloromethyl)butyl]-2-methoxybenzene
CID 66035902
5-(2-methoxyphenyl)pentane-2,3-diol
CID 83929090
3-(2-methoxyphenyl)-2-methylpropan-1-amine
CID 22024848
1-(2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61263658

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-methylpentan-2-ol?
The IUPAC name of 1-(2-methoxyphenyl)-3-methylpentan-2-ol (CID 63018266) is 1-(2-methoxyphenyl)-3-methylpentan-2-ol.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-methylpentan-2-ol?
The canonical SMILES for 1-(2-methoxyphenyl)-3-methylpentan-2-ol is CCC(C)C(O)Cc1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-3-methylpentan-2-ol?
The InChIKey is VZNXEOCUWRJIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-4-10(2)12(14)9-11-7-5-6-8-13(11)15-3/h5-8,10,12,14H,4,9H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-3-methylpentan-2-ol?
1-(2-methoxyphenyl)-3-methylpentan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-methylpentan-2-ol is sourced from PubChem (CID 63018266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).