1-(3-ethylphenyl)-2-methoxybutan-1-ol

C13H20O2 — CID 116710803

IUPAC1-(3-ethylphenyl)-2-methoxybutan-1-ol
SMILESCCc1cccc(C(O)C(CC)OC)c1
InChIInChI=1S/C13H20O2/c1-4-10-7-6-8-11(9-10)13(14)12(5-2)15-3/h6-9,12-14H,4-5H2,1-3H3
InChIKeyHKOPNEZHHRTKIB-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.71
Rot. Bonds5

About 1-(3-ethylphenyl)-2-methoxybutan-1-ol

1-(3-ethylphenyl)-2-methoxybutan-1-ol (PubChem CID 116710803) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-2-methoxybutan-1-ol.

Molecular Properties

Compound Name1-(3-ethylphenyl)-2-methoxybutan-1-ol
PubChem CID116710803
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(3-ethylphenyl)-2-methoxybutan-1-ol
SMILESCCc1cccc(C(O)C(CC)OC)c1
InChIInChI=1S/C13H20O2/c1-4-10-7-6-8-11(9-10)13(14)12(5-2)15-3/h6-9,12-14H,4-5H2,1-3H3
InChIKeyHKOPNEZHHRTKIB-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-1-(3-propylphenyl)butan-1-ol
CID 116710935
2-ethoxy-1-(3-ethylphenyl)butan-1-ol
CID 116711098
1-(3-ethylphenyl)-3-methoxy-2-methylpropan-1-ol
CID 116502579
1-(3-ethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103312595
1-[3-(methoxymethyl)phenyl]-2-methylbutan-1-ol
CID 79446126
2-methoxy-1-(4-propylphenyl)butan-1-ol
CID 116710776
2-methoxy-1-(4-phenylphenyl)butan-1-ol
CID 116710860
1-(3-fluoro-4-methylphenyl)-2-methoxybutan-1-ol
CID 107128607
1-butan-2-yl-3-ethylbenzene
CID 528681
(3-ethylphenyl)-(methylamino)methanol
CID 91312447
(1R,2R)-1-(3-chlorophenyl)-2-methoxypropane-1,3-diol
CID 124673100
1-(3-ethylphenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719527

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-2-methoxybutan-1-ol?
The IUPAC name of 1-(3-ethylphenyl)-2-methoxybutan-1-ol (CID 116710803) is 1-(3-ethylphenyl)-2-methoxybutan-1-ol.
What is the SMILES notation for 1-(3-ethylphenyl)-2-methoxybutan-1-ol?
The canonical SMILES for 1-(3-ethylphenyl)-2-methoxybutan-1-ol is CCc1cccc(C(O)C(CC)OC)c1.
What is the InChIKey of 1-(3-ethylphenyl)-2-methoxybutan-1-ol?
The InChIKey is HKOPNEZHHRTKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-4-10-7-6-8-11(9-10)13(14)12(5-2)15-3/h6-9,12-14H,4-5H2,1-3H3.
What are the key properties of 1-(3-ethylphenyl)-2-methoxybutan-1-ol?
1-(3-ethylphenyl)-2-methoxybutan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-2-methoxybutan-1-ol is sourced from PubChem (CID 116710803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).