ethane;2-methoxy-4-propylphenol

C12H20O2 — CID 144852330

IUPACethane;2-methoxy-4-propylphenol
SMILESCC.CCCc1ccc(O)c(OC)c1
InChIInChI=1S/C10H14O2.C2H6/c1-3-4-8-5-6-9(11)10(7-8)12-2;1-2/h5-7,11H,3-4H2,1-2H3;1-2H3
InChIKeyFIBAFIJCYWSBIW-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.38
Rot. Bonds3

About ethane;2-methoxy-4-propylphenol

ethane;2-methoxy-4-propylphenol (PubChem CID 144852330) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is ethane;2-methoxy-4-propylphenol.

Molecular Properties

Compound Nameethane;2-methoxy-4-propylphenol
PubChem CID144852330
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Nameethane;2-methoxy-4-propylphenol
SMILESCC.CCCc1ccc(O)c(OC)c1
InChIInChI=1S/C10H14O2.C2H6/c1-3-4-8-5-6-9(11)10(7-8)12-2;1-2/h5-7,11H,3-4H2,1-2H3;1-2H3
InChIKeyFIBAFIJCYWSBIW-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

tris(2-methoxy-4-propylphenol);phosphoric acid
CID 71328492
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014
ethane;1-(4-hydroxy-3-methoxyphenyl)pentan-3-one
CID 154645810
4-(3-ethylpentyl)-2-methoxyphenol
CID 142654270
4-[(2S)-2-amino-2-tritioethyl]-2-methoxyphenol
CID 10845923
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-6-methoxy-4-propylphenol
CID 163016012
4-(3-hydroxyheptyl)-2-methoxyphenol
CID 142945422
ethane;1-(4-hydroxy-3-methoxyphenyl)decane-3,5-diol
CID 156738617
4-(fluoromethyl)-2-methoxyphenol
CID 84650348
4-(iodomethyl)-2-methoxyphenol
CID 15255516
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015

Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxy-4-propylphenol?
The IUPAC name of ethane;2-methoxy-4-propylphenol (CID 144852330) is ethane;2-methoxy-4-propylphenol.
What is the SMILES notation for ethane;2-methoxy-4-propylphenol?
The canonical SMILES for ethane;2-methoxy-4-propylphenol is CC.CCCc1ccc(O)c(OC)c1.
What is the InChIKey of ethane;2-methoxy-4-propylphenol?
The InChIKey is FIBAFIJCYWSBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2.C2H6/c1-3-4-8-5-6-9(11)10(7-8)12-2;1-2/h5-7,11H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methoxy-4-propylphenol?
ethane;2-methoxy-4-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-4-propylphenol is sourced from PubChem (CID 144852330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).