4-chloro-2-ethyl-5-propylphenol

C11H15ClO — CID 118092079

IUPAC4-chloro-2-ethyl-5-propylphenol
SMILESCCCc1cc(O)c(CC)cc1Cl
InChIInChI=1S/C11H15ClO/c1-3-5-9-7-11(13)8(4-2)6-10(9)12/h6-7,13H,3-5H2,1-2H3
InChIKeyFLXFHGHLBYKAPE-UHFFFAOYSA-N
MW198.69 g/mol
LogP3.56
Rot. Bonds3

About 4-chloro-2-ethyl-5-propylphenol

4-chloro-2-ethyl-5-propylphenol (PubChem CID 118092079) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-propylphenol.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-propylphenol
PubChem CID118092079
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name4-chloro-2-ethyl-5-propylphenol
SMILESCCCc1cc(O)c(CC)cc1Cl
InChIInChI=1S/C11H15ClO/c1-3-5-9-7-11(13)8(4-2)6-10(9)12/h6-7,13H,3-5H2,1-2H3
InChIKeyFLXFHGHLBYKAPE-UHFFFAOYSA-N
XLogP3.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-methyl-5-propylphenol
CID 69382890
2-(2-aminoethyl)-4-chloro-5-ethylphenol
CID 83880601
4,6-dipropylbenzene-1,3-diol
CID 70496109
5-tert-butyl-4-chloro-2-ethylphenol
CID 118092257
4-butyl-6-chlorobenzene-1,3-diol
CID 23195020
2,4-bis(hydroxymethyl)-5-propylphenol
CID 20528682
5-butyl-4-chloro-2-propan-2-ylphenol
CID 118092137
4-chloro-6-heptylbenzene-1,3-diol
CID 23195029
2-ethyl-5-propylphenol
CID 522454
4,5-dichloro-2-(ethylaminomethyl)phenol
CID 82553918
5-fluoro-4-hydroxy-2-propylbenzaldehyde
CID 176998466
2-methoxy-5-propylbenzene-1,4-diol
CID 5314475

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-propylphenol?
The IUPAC name of 4-chloro-2-ethyl-5-propylphenol (CID 118092079) is 4-chloro-2-ethyl-5-propylphenol.
What is the SMILES notation for 4-chloro-2-ethyl-5-propylphenol?
The canonical SMILES for 4-chloro-2-ethyl-5-propylphenol is CCCc1cc(O)c(CC)cc1Cl.
What is the InChIKey of 4-chloro-2-ethyl-5-propylphenol?
The InChIKey is FLXFHGHLBYKAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO/c1-3-5-9-7-11(13)8(4-2)6-10(9)12/h6-7,13H,3-5H2,1-2H3.
What are the key properties of 4-chloro-2-ethyl-5-propylphenol?
4-chloro-2-ethyl-5-propylphenol has a molecular weight of 198.69 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-propylphenol is sourced from PubChem (CID 118092079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).