2-ethylphenol;1,3-xylene

C16H20O — CID 174948528

IUPAC2-ethylphenol;1,3-xylene
SMILESCCc1ccccc1O.Cc1cccc(C)c1
InChIInChI=1S/C8H10O.C8H10/c1-2-7-5-3-4-6-8(7)9;1-7-4-3-5-8(2)6-7/h3-6,9H,2H2,1H3;3-6H,1-2H3
InChIKeyPTKNZEVYNMBYBQ-UHFFFAOYSA-N
MW228.34 g/mol
LogP4.26
Rot. Bonds1

About 2-ethylphenol;1,3-xylene

2-ethylphenol;1,3-xylene (PubChem CID 174948528) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-ethylphenol;1,3-xylene.

Molecular Properties

Compound Name2-ethylphenol;1,3-xylene
PubChem CID174948528
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name2-ethylphenol;1,3-xylene
SMILESCCc1ccccc1O.Cc1cccc(C)c1
InChIInChI=1S/C8H10O.C8H10/c1-2-7-5-3-4-6-8(7)9;1-7-4-3-5-8(2)6-7/h3-6,9H,2H2,1H3;3-6H,1-2H3
InChIKeyPTKNZEVYNMBYBQ-UHFFFAOYSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-ethylphenol;1,3-xylene?
The IUPAC name of 2-ethylphenol;1,3-xylene (CID 174948528) is 2-ethylphenol;1,3-xylene.
What is the SMILES notation for 2-ethylphenol;1,3-xylene?
The canonical SMILES for 2-ethylphenol;1,3-xylene is CCc1ccccc1O.Cc1cccc(C)c1.
What is the InChIKey of 2-ethylphenol;1,3-xylene?
The InChIKey is PTKNZEVYNMBYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C8H10/c1-2-7-5-3-4-6-8(7)9;1-7-4-3-5-8(2)6-7/h3-6,9H,2H2,1H3;3-6H,1-2H3.
What are the key properties of 2-ethylphenol;1,3-xylene?
2-ethylphenol;1,3-xylene has a molecular weight of 228.34 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylphenol;1,3-xylene is sourced from PubChem (CID 174948528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).