1-(5-chloro-2-methoxyphenyl)-3-ethylpentane-2,3-diol

C14H21ClO3 — CID 103449379

IUPAC1-(5-chloro-2-methoxyphenyl)-3-ethylpentane-2,3-diol
SMILESCCC(O)(CC)C(O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C14H21ClO3/c1-4-14(17,5-2)13(16)9-10-8-11(15)6-7-12(10)18-3/h6-8,13,16-17H,4-5,9H2,1-3H3
InChIKeyUOZPVWVBIZGXNT-UHFFFAOYSA-N
MW272.77 g/mol
LogP2.80
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-3-ethylpentane-2,3-diol

1-(5-chloro-2-methoxyphenyl)-3-ethylpentane-2,3-diol (PubChem CID 103449379) has the molecular formula C14H21ClO3 and a molecular weight of 272.77 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-ethylpentane-2,3-diol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-ethylpentane-2,3-diol
PubChem CID103449379
Molecular FormulaC14H21ClO3
Molecular Weight272.77 g/mol
Exact Mass272.12
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-ethylpentane-2,3-diol
SMILESCCC(O)(CC)C(O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C14H21ClO3/c1-4-14(17,5-2)13(16)9-10-8-11(15)6-7-12(10)18-3/h6-8,13,16-17H,4-5,9H2,1-3H3
InChIKeyUOZPVWVBIZGXNT-UHFFFAOYSA-N
XLogP2.80
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.77
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 62606334
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CID 79053243
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-ol
CID 63562020
1-(5-chloro-2-methoxyphenyl)-3,4,4-trimethylpentan-2-ol
CID 114270657
1-(5-chloro-2-methoxyphenyl)-3-propylhexan-2-ol
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1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 62608604
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 63083648
3-[(5-chloro-2-methoxyphenyl)methyl]pentan-2-one
CID 60999984
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-one
CID 63548794
1-(5-chloro-2-methoxyphenyl)-3-propylsulfanylpropan-2-ol
CID 65129834
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine
CID 63561705
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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-ethylpentane-2,3-diol?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-ethylpentane-2,3-diol (CID 103449379) is 1-(5-chloro-2-methoxyphenyl)-3-ethylpentane-2,3-diol.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-ethylpentane-2,3-diol?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-ethylpentane-2,3-diol is CCC(O)(CC)C(O)Cc1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-ethylpentane-2,3-diol?
The InChIKey is UOZPVWVBIZGXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO3/c1-4-14(17,5-2)13(16)9-10-8-11(15)6-7-12(10)18-3/h6-8,13,16-17H,4-5,9H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-ethylpentane-2,3-diol?
1-(5-chloro-2-methoxyphenyl)-3-ethylpentane-2,3-diol has a molecular weight of 272.77 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-ethylpentane-2,3-diol is sourced from PubChem (CID 103449379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).