5-(3-chloro-4-methoxyphenyl)pentane-2,3-diol

C12H17ClO3 — CID 83928573

IUPAC5-(3-chloro-4-methoxyphenyl)pentane-2,3-diol
SMILESCOc1ccc(CCC(O)C(C)O)cc1Cl
InChIInChI=1S/C12H17ClO3/c1-8(14)11(15)5-3-9-4-6-12(16-2)10(13)7-9/h4,6-8,11,14-15H,3,5H2,1-2H3
InChIKeyAFLDTBSIZMRTKB-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.02
Rot. Bonds5

About 5-(3-chloro-4-methoxyphenyl)pentane-2,3-diol

5-(3-chloro-4-methoxyphenyl)pentane-2,3-diol (PubChem CID 83928573) has the molecular formula C12H17ClO3 and a molecular weight of 244.72 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxyphenyl)pentane-2,3-diol.

Molecular Properties

Compound Name5-(3-chloro-4-methoxyphenyl)pentane-2,3-diol
PubChem CID83928573
Molecular FormulaC12H17ClO3
Molecular Weight244.72 g/mol
Exact Mass244.09
IUPAC Name5-(3-chloro-4-methoxyphenyl)pentane-2,3-diol
SMILESCOc1ccc(CCC(O)C(C)O)cc1Cl
InChIInChI=1S/C12H17ClO3/c1-8(14)11(15)5-3-9-4-6-12(16-2)10(13)7-9/h4,6-8,11,14-15H,3,5H2,1-2H3
InChIKeyAFLDTBSIZMRTKB-UHFFFAOYSA-N
XLogP2.02
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methoxy-3-propan-2-ylphenyl)pentane-2,3-diol
CID 83926893
5-(3-tert-butyl-4-methoxyphenyl)pentane-2,3-diol
CID 83936813
4-[(3-chloro-4-methoxyphenyl)methylamino]butan-2-ol
CID 65021347
2-chloro-4-(3-chloropropyl)-1-methoxybenzene
CID 83800842
1-(3,4-dimethoxyphenyl)hexane-3,4-diol
CID 83928894
5-(5-chloro-2-methoxy-4-methylphenyl)pentane-2,3-diol
CID 83937566
(3R,6S)-1,8-bis(3-chloro-4-methoxyphenyl)-2,3,6,7-tetrahydroxyoctane-4,5-dione
CID 91056807
5-(3,4-dipropoxyphenyl)pentane-2,3-diol
CID 83932064
2-chloro-4-(3,3-dimethylbutyl)-1-methoxybenzene
CID 59453588
(1R,2S)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol
CID 10353281
2-[(3-chloro-4-methoxyphenyl)methyl]propanedioic acid
CID 82121039
3-(3-chloro-4-methoxyphenyl)-2-methylpropane-1-thiol
CID 83928473

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxyphenyl)pentane-2,3-diol?
The IUPAC name of 5-(3-chloro-4-methoxyphenyl)pentane-2,3-diol (CID 83928573) is 5-(3-chloro-4-methoxyphenyl)pentane-2,3-diol.
What is the SMILES notation for 5-(3-chloro-4-methoxyphenyl)pentane-2,3-diol?
The canonical SMILES for 5-(3-chloro-4-methoxyphenyl)pentane-2,3-diol is COc1ccc(CCC(O)C(C)O)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-methoxyphenyl)pentane-2,3-diol?
The InChIKey is AFLDTBSIZMRTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO3/c1-8(14)11(15)5-3-9-4-6-12(16-2)10(13)7-9/h4,6-8,11,14-15H,3,5H2,1-2H3.
What are the key properties of 5-(3-chloro-4-methoxyphenyl)pentane-2,3-diol?
5-(3-chloro-4-methoxyphenyl)pentane-2,3-diol has a molecular weight of 244.72 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methoxyphenyl)pentane-2,3-diol is sourced from PubChem (CID 83928573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).