ethane;2-methoxy-6-propylphenol

C12H20O2 — CID 142869062

IUPACethane;2-methoxy-6-propylphenol
SMILESCC.CCCc1cccc(OC)c1O
InChIInChI=1S/C10H14O2.C2H6/c1-3-5-8-6-4-7-9(12-2)10(8)11;1-2/h4,6-7,11H,3,5H2,1-2H3;1-2H3
InChIKeyXOIMLGFCQWSZQF-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.38
Rot. Bonds3

About ethane;2-methoxy-6-propylphenol

ethane;2-methoxy-6-propylphenol (PubChem CID 142869062) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is ethane;2-methoxy-6-propylphenol.

Molecular Properties

Compound Nameethane;2-methoxy-6-propylphenol
PubChem CID142869062
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Nameethane;2-methoxy-6-propylphenol
SMILESCC.CCCc1cccc(OC)c1O
InChIInChI=1S/C10H14O2.C2H6/c1-3-5-8-6-4-7-9(12-2)10(8)11;1-2/h4,6-7,11H,3,5H2,1-2H3;1-2H3
InChIKeyXOIMLGFCQWSZQF-UHFFFAOYSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-heptadecyl-6-methoxyphenol
CID 10713705
2-butyl-6-methoxyphenol;4-methoxyphenol
CID 174399923
2-methoxy-6-(phosphanylmethyl)phenol
CID 155024507
1-methoxy-8-propylnaphthalene
CID 22401887
2-butyl-6-(3-butyl-2-hydroxyphenoxy)phenol
CID 171777158
methyl N-[2-(2-hydroxy-3-methoxyphenyl)ethyl]carbamate
CID 15659643
3-methoxy-2-propylphenol
CID 10607156
2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methoxyphenol
CID 102999106
3-(2-hydroxy-3-methoxyphenyl)propyl thiocyanate
CID 112718411
2-methoxy-6-(2-sulfanylpropyl)phenol
CID 137432074
(2-methoxy-6-propylphenyl) acetate
CID 170893292
2-methoxy-6-(4-propylphenyl)phenol
CID 83130224

Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxy-6-propylphenol?
The IUPAC name of ethane;2-methoxy-6-propylphenol (CID 142869062) is ethane;2-methoxy-6-propylphenol.
What is the SMILES notation for ethane;2-methoxy-6-propylphenol?
The canonical SMILES for ethane;2-methoxy-6-propylphenol is CC.CCCc1cccc(OC)c1O.
What is the InChIKey of ethane;2-methoxy-6-propylphenol?
The InChIKey is XOIMLGFCQWSZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2.C2H6/c1-3-5-8-6-4-7-9(12-2)10(8)11;1-2/h4,6-7,11H,3,5H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methoxy-6-propylphenol?
ethane;2-methoxy-6-propylphenol has a molecular weight of 196.29 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxy-6-propylphenol is sourced from PubChem (CID 142869062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).