4-(5-chloro-2-ethoxyphenyl)pentane-1,2-diol

C13H19ClO3 — CID 83933329

IUPAC4-(5-chloro-2-ethoxyphenyl)pentane-1,2-diol
SMILESCCOc1ccc(Cl)cc1C(C)CC(O)CO
InChIInChI=1S/C13H19ClO3/c1-3-17-13-5-4-10(14)7-12(13)9(2)6-11(16)8-15/h4-5,7,9,11,15-16H,3,6,8H2,1-2H3
InChIKeyMLFRWJFGUDBLMU-UHFFFAOYSA-N
MW258.74 g/mol
LogP2.59
Rot. Bonds6

About 4-(5-chloro-2-ethoxyphenyl)pentane-1,2-diol

4-(5-chloro-2-ethoxyphenyl)pentane-1,2-diol (PubChem CID 83933329) has the molecular formula C13H19ClO3 and a molecular weight of 258.74 g/mol. Its IUPAC name is 4-(5-chloro-2-ethoxyphenyl)pentane-1,2-diol.

Molecular Properties

Compound Name4-(5-chloro-2-ethoxyphenyl)pentane-1,2-diol
PubChem CID83933329
Molecular FormulaC13H19ClO3
Molecular Weight258.74 g/mol
Exact Mass258.10
IUPAC Name4-(5-chloro-2-ethoxyphenyl)pentane-1,2-diol
SMILESCCOc1ccc(Cl)cc1C(C)CC(O)CO
InChIInChI=1S/C13H19ClO3/c1-3-17-13-5-4-10(14)7-12(13)9(2)6-11(16)8-15/h4-5,7,9,11,15-16H,3,6,8H2,1-2H3
InChIKeyMLFRWJFGUDBLMU-UHFFFAOYSA-N
XLogP2.59
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.74
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2,4-diethoxyphenyl)pentane-1,2-diol
CID 83943493
1-amino-4-(5-chloro-2-propoxyphenyl)pentan-2-ol
CID 83933454
4-chloro-1-ethoxy-2-[(Z)-hept-4-en-2-yl]benzene
CID 83933310
5-(5-chloro-2-propoxyphenyl)hexane-2,3-diol
CID 83933462
2-(4-bromobutan-2-yl)-4-chloro-1-ethoxybenzene
CID 83933223
1-amino-4-(5-chloro-2-ethoxyphenyl)hexan-2-ol
CID 83933326
3-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-2-methylpropan-1-ol
CID 104881539
(1R)-1-(5-chloro-2-propoxyphenyl)ethanol
CID 63364392
3-(5-chloro-2-ethoxyphenyl)butyl thiocyanate
CID 112718719
1-[5-chloro-2-(3-ethoxypropoxy)phenyl]ethanol
CID 65175757
4-(4-ethoxy-2,3,6-trimethylphenyl)pentane-1,2-diol
CID 83939523
1-[2-[(1S)-1-aminoethyl]-4-chlorophenoxy]-3-ethoxypropan-2-ol
CID 78954626

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-ethoxyphenyl)pentane-1,2-diol?
The IUPAC name of 4-(5-chloro-2-ethoxyphenyl)pentane-1,2-diol (CID 83933329) is 4-(5-chloro-2-ethoxyphenyl)pentane-1,2-diol.
What is the SMILES notation for 4-(5-chloro-2-ethoxyphenyl)pentane-1,2-diol?
The canonical SMILES for 4-(5-chloro-2-ethoxyphenyl)pentane-1,2-diol is CCOc1ccc(Cl)cc1C(C)CC(O)CO.
What is the InChIKey of 4-(5-chloro-2-ethoxyphenyl)pentane-1,2-diol?
The InChIKey is MLFRWJFGUDBLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO3/c1-3-17-13-5-4-10(14)7-12(13)9(2)6-11(16)8-15/h4-5,7,9,11,15-16H,3,6,8H2,1-2H3.
What are the key properties of 4-(5-chloro-2-ethoxyphenyl)pentane-1,2-diol?
4-(5-chloro-2-ethoxyphenyl)pentane-1,2-diol has a molecular weight of 258.74 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-ethoxyphenyl)pentane-1,2-diol is sourced from PubChem (CID 83933329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).