ethane;3-methoxyphenol

C9H14O2 — CID 142018283

IUPACethane;3-methoxyphenol
SMILESCC.COc1cccc(O)c1
InChIInChI=1S/C7H8O2.C2H6/c1-9-7-4-2-3-6(8)5-7;1-2/h2-5,8H,1H3;1-2H3
InChIKeyMAFMEWNBUKYBTE-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.43
Rot. Bonds1

About ethane;3-methoxyphenol

ethane;3-methoxyphenol (PubChem CID 142018283) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is ethane;3-methoxyphenol.

Molecular Properties

Compound Nameethane;3-methoxyphenol
PubChem CID142018283
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Nameethane;3-methoxyphenol
SMILESCC.COc1cccc(O)c1
InChIInChI=1S/C7H8O2.C2H6/c1-9-7-4-2-3-6(8)5-7;1-2/h2-5,8H,1H3;1-2H3
InChIKeyMAFMEWNBUKYBTE-UHFFFAOYSA-N
XLogP2.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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anisole;ethane;iodomethane;phenol
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Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxyphenol?
The IUPAC name of ethane;3-methoxyphenol (CID 142018283) is ethane;3-methoxyphenol.
What is the SMILES notation for ethane;3-methoxyphenol?
The canonical SMILES for ethane;3-methoxyphenol is CC.COc1cccc(O)c1.
What is the InChIKey of ethane;3-methoxyphenol?
The InChIKey is MAFMEWNBUKYBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2.C2H6/c1-9-7-4-2-3-6(8)5-7;1-2/h2-5,8H,1H3;1-2H3.
What are the key properties of ethane;3-methoxyphenol?
ethane;3-methoxyphenol has a molecular weight of 154.21 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxyphenol is sourced from PubChem (CID 142018283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).