ethane;4-ethylphenol;formaldehyde

C13H24O2 — CID 131698499

IUPACethane;4-ethylphenol;formaldehyde
SMILESC=O.CC.CC.CCc1ccc(O)cc1
InChIInChI=1S/C8H10O.2C2H6.CH2O/c1-2-7-3-5-8(9)6-4-7;3*1-2/h3-6,9H,2H2,1H3;2*1-2H3;1H2
InChIKeyHKZPORJFBLCTJG-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.82
Rot. Bonds1

About ethane;4-ethylphenol;formaldehyde

ethane;4-ethylphenol;formaldehyde (PubChem CID 131698499) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is ethane;4-ethylphenol;formaldehyde.

Molecular Properties

Compound Nameethane;4-ethylphenol;formaldehyde
PubChem CID131698499
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Nameethane;4-ethylphenol;formaldehyde
SMILESC=O.CC.CC.CCc1ccc(O)cc1
InChIInChI=1S/C8H10O.2C2H6.CH2O/c1-2-7-3-5-8(9)6-4-7;3*1-2/h3-6,9H,2H2,1H3;2*1-2H3;1H2
InChIKeyHKZPORJFBLCTJG-UHFFFAOYSA-N
XLogP3.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethylphenol;formaldehyde?
The IUPAC name of ethane;4-ethylphenol;formaldehyde (CID 131698499) is ethane;4-ethylphenol;formaldehyde.
What is the SMILES notation for ethane;4-ethylphenol;formaldehyde?
The canonical SMILES for ethane;4-ethylphenol;formaldehyde is C=O.CC.CC.CCc1ccc(O)cc1.
What is the InChIKey of ethane;4-ethylphenol;formaldehyde?
The InChIKey is HKZPORJFBLCTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.2C2H6.CH2O/c1-2-7-3-5-8(9)6-4-7;3*1-2/h3-6,9H,2H2,1H3;2*1-2H3;1H2.
What are the key properties of ethane;4-ethylphenol;formaldehyde?
ethane;4-ethylphenol;formaldehyde has a molecular weight of 212.33 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethylphenol;formaldehyde is sourced from PubChem (CID 131698499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).