5-chloro-4-ethoxy-2-methylphenol

C9H11ClO2 — CID 82490779

IUPAC5-chloro-4-ethoxy-2-methylphenol
SMILESCCOc1cc(C)c(O)cc1Cl
InChIInChI=1S/C9H11ClO2/c1-3-12-9-4-6(2)8(11)5-7(9)10/h4-5,11H,3H2,1-2H3
InChIKeyCEISZRSAQJFGBR-UHFFFAOYSA-N
MW186.64 g/mol
LogP2.75
Rot. Bonds2

About 5-chloro-4-ethoxy-2-methylphenol

5-chloro-4-ethoxy-2-methylphenol (PubChem CID 82490779) has the molecular formula C9H11ClO2 and a molecular weight of 186.64 g/mol. Its IUPAC name is 5-chloro-4-ethoxy-2-methylphenol.

Molecular Properties

Compound Name5-chloro-4-ethoxy-2-methylphenol
PubChem CID82490779
Molecular FormulaC9H11ClO2
Molecular Weight186.64 g/mol
Exact Mass186.04
IUPAC Name5-chloro-4-ethoxy-2-methylphenol
SMILESCCOc1cc(C)c(O)cc1Cl
InChIInChI=1S/C9H11ClO2/c1-3-12-9-4-6(2)8(11)5-7(9)10/h4-5,11H,3H2,1-2H3
InChIKeyCEISZRSAQJFGBR-UHFFFAOYSA-N
XLogP2.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146
2-ethoxy-4,5-dimethylphenol
CID 82053903
5-chloro-4-ethoxy-2-methylbenzoic acid
CID 82284593
5-chloro-4-ethoxy-2-methylbenzenesulfinic acid
CID 82476073
5-chloro-4-ethoxy-2-methylbenzenesulfonamide
CID 82297288
1-chloro-2-ethoxy-4-methoxy-5-methylbenzene
CID 71068382
2-chloro-1-(5-chloro-4-ethoxy-2-methylphenyl)ethanone
CID 82295620
N-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]acetamide
CID 110781893
4-chloro-5-methoxy-2-methylphenol
CID 21341377
2-(5-chloro-4-ethoxy-2-methylphenyl)-N-methylpropan-2-amine
CID 82293239
2-(5-chloro-4-ethoxy-2-methylphenyl)-2-methylpropan-1-amine
CID 82293238
3-(5-chloro-4-ethoxy-2-methylphenyl)propan-1-amine
CID 95447725

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-ethoxy-2-methylphenol?
The IUPAC name of 5-chloro-4-ethoxy-2-methylphenol (CID 82490779) is 5-chloro-4-ethoxy-2-methylphenol.
What is the SMILES notation for 5-chloro-4-ethoxy-2-methylphenol?
The canonical SMILES for 5-chloro-4-ethoxy-2-methylphenol is CCOc1cc(C)c(O)cc1Cl.
What is the InChIKey of 5-chloro-4-ethoxy-2-methylphenol?
The InChIKey is CEISZRSAQJFGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO2/c1-3-12-9-4-6(2)8(11)5-7(9)10/h4-5,11H,3H2,1-2H3.
What are the key properties of 5-chloro-4-ethoxy-2-methylphenol?
5-chloro-4-ethoxy-2-methylphenol has a molecular weight of 186.64 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-ethoxy-2-methylphenol is sourced from PubChem (CID 82490779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).