5-[(4-chloro-2-ethylphenoxy)methyl]-2-ethylphenol

C17H19ClO2 — CID 12708586

IUPAC5-[(4-chloro-2-ethylphenoxy)methyl]-2-ethylphenol
SMILESCCc1ccc(COc2ccc(Cl)cc2CC)cc1O
InChIInChI=1S/C17H19ClO2/c1-3-13-6-5-12(9-16(13)19)11-20-17-8-7-15(18)10-14(17)4-2/h5-10,19H,3-4,11H2,1-2H3
InChIKeyXYZRNZUNIHKXFN-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.75
Rot. Bonds5

About 5-[(4-chloro-2-ethylphenoxy)methyl]-2-ethylphenol

5-[(4-chloro-2-ethylphenoxy)methyl]-2-ethylphenol (PubChem CID 12708586) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is 5-[(4-chloro-2-ethylphenoxy)methyl]-2-ethylphenol.

Molecular Properties

Compound Name5-[(4-chloro-2-ethylphenoxy)methyl]-2-ethylphenol
PubChem CID12708586
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name5-[(4-chloro-2-ethylphenoxy)methyl]-2-ethylphenol
SMILESCCc1ccc(COc2ccc(Cl)cc2CC)cc1O
InChIInChI=1S/C17H19ClO2/c1-3-13-6-5-12(9-16(13)19)11-20-17-8-7-15(18)10-14(17)4-2/h5-10,19H,3-4,11H2,1-2H3
InChIKeyXYZRNZUNIHKXFN-UHFFFAOYSA-N
XLogP4.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine
CID 63500792
N-[[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 103037797
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290821
(4-chloro-2-ethylphenyl) hydrogen carbonate
CID 67350098
2-[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]acetic acid
CID 139026989
2-[[4-chloro-2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene
CID 67069151
[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 43141927
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17055704
[4-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methanamine
CID 114322356
[5-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol
CID 54910865
1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride
CID 172689166
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-2-ethylphenoxy)methyl]-2-ethylphenol?
The IUPAC name of 5-[(4-chloro-2-ethylphenoxy)methyl]-2-ethylphenol (CID 12708586) is 5-[(4-chloro-2-ethylphenoxy)methyl]-2-ethylphenol.
What is the SMILES notation for 5-[(4-chloro-2-ethylphenoxy)methyl]-2-ethylphenol?
The canonical SMILES for 5-[(4-chloro-2-ethylphenoxy)methyl]-2-ethylphenol is CCc1ccc(COc2ccc(Cl)cc2CC)cc1O.
What is the InChIKey of 5-[(4-chloro-2-ethylphenoxy)methyl]-2-ethylphenol?
The InChIKey is XYZRNZUNIHKXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO2/c1-3-13-6-5-12(9-16(13)19)11-20-17-8-7-15(18)10-14(17)4-2/h5-10,19H,3-4,11H2,1-2H3.
What are the key properties of 5-[(4-chloro-2-ethylphenoxy)methyl]-2-ethylphenol?
5-[(4-chloro-2-ethylphenoxy)methyl]-2-ethylphenol has a molecular weight of 290.79 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-2-ethylphenoxy)methyl]-2-ethylphenol is sourced from PubChem (CID 12708586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).