3-(3-chloropropoxy)-5-ethylphenol

C11H15ClO2 — CID 142783506

IUPAC3-(3-chloropropoxy)-5-ethylphenol
SMILESCCc1cc(O)cc(OCCCCl)c1
InChIInChI=1S/C11H15ClO2/c1-2-9-6-10(13)8-11(7-9)14-5-3-4-12/h6-8,13H,2-5H2,1H3
InChIKeyHCAVSYBHYAVDMF-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.96
Rot. Bonds5

About 3-(3-chloropropoxy)-5-ethylphenol

3-(3-chloropropoxy)-5-ethylphenol (PubChem CID 142783506) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 3-(3-chloropropoxy)-5-ethylphenol.

Molecular Properties

Compound Name3-(3-chloropropoxy)-5-ethylphenol
PubChem CID142783506
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name3-(3-chloropropoxy)-5-ethylphenol
SMILESCCc1cc(O)cc(OCCCCl)c1
InChIInChI=1S/C11H15ClO2/c1-2-9-6-10(13)8-11(7-9)14-5-3-4-12/h6-8,13H,2-5H2,1H3
InChIKeyHCAVSYBHYAVDMF-UHFFFAOYSA-N
XLogP2.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(hydroxymethyl)-5-propoxyphenol
CID 15514176
3-(hydroxymethyl)-5-octoxyphenol
CID 59029723
5-[4-[3,5-bis[4-(3,5-dihydroxyphenoxy)butoxy]phenoxy]butoxy]benzene-1,3-diol
CID 53305209
tert-butyl 2-(3-ethyl-5-hydroxyphenoxy)acetate
CID 58944391
(3-butoxy-5-hydroxyphenyl)methyl acetate
CID 150583952
3-(2-aminoethyl)-5-(3-methoxypropoxy)phenol
CID 174673991
3,5-dichloro-4-[3-(4-ethylphenoxy)propoxy]phenol
CID 54186812
1-butoxy-3,5-bis(chloromethyl)benzene
CID 89058586
3-ethoxy-5-octadecylphenol
CID 118876083
3-decoxy-5-methylphenol
CID 107679752
1-ethyl-3-methoxy-5-propoxybenzene
CID 143260185
5-[2-[3-[[3-[[3-[[3-[[3-[[3,5-bis[(3,5-dihydroxyphenyl)methoxy]phenyl]methoxy]-5-hydroxyphenyl]methoxy]-5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-hydroxyphenyl]methoxy]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]-5-hydroxyphenoxy]methyl]-5-hydroxyphenoxy]ethyl]benzene-1,3-diol
CID 59939789

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloropropoxy)-5-ethylphenol?
The IUPAC name of 3-(3-chloropropoxy)-5-ethylphenol (CID 142783506) is 3-(3-chloropropoxy)-5-ethylphenol.
What is the SMILES notation for 3-(3-chloropropoxy)-5-ethylphenol?
The canonical SMILES for 3-(3-chloropropoxy)-5-ethylphenol is CCc1cc(O)cc(OCCCCl)c1.
What is the InChIKey of 3-(3-chloropropoxy)-5-ethylphenol?
The InChIKey is HCAVSYBHYAVDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-2-9-6-10(13)8-11(7-9)14-5-3-4-12/h6-8,13H,2-5H2,1H3.
What are the key properties of 3-(3-chloropropoxy)-5-ethylphenol?
3-(3-chloropropoxy)-5-ethylphenol has a molecular weight of 214.69 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloropropoxy)-5-ethylphenol is sourced from PubChem (CID 142783506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).