4-chloro-3-hydroxydecanoic acid

C10H19ClO3 — CID 88665984

IUPAC4-chloro-3-hydroxydecanoic acid
SMILESCCCCCCC(Cl)C(O)CC(=O)O
InChIInChI=1S/C10H19ClO3/c1-2-3-4-5-6-8(11)9(12)7-10(13)14/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyWLSBHOJJJXNRQM-UHFFFAOYSA-N
MW222.71 g/mol
LogP2.40
Rot. Bonds8

About 4-chloro-3-hydroxydecanoic acid

4-chloro-3-hydroxydecanoic acid (PubChem CID 88665984) has the molecular formula C10H19ClO3 and a molecular weight of 222.71 g/mol. Its IUPAC name is 4-chloro-3-hydroxydecanoic acid.

Molecular Properties

Compound Name4-chloro-3-hydroxydecanoic acid
PubChem CID88665984
Molecular FormulaC10H19ClO3
Molecular Weight222.71 g/mol
Exact Mass222.10
IUPAC Name4-chloro-3-hydroxydecanoic acid
SMILESCCCCCCC(Cl)C(O)CC(=O)O
InChIInChI=1S/C10H19ClO3/c1-2-3-4-5-6-8(11)9(12)7-10(13)14/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyWLSBHOJJJXNRQM-UHFFFAOYSA-N
XLogP2.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.71
LogP ≤ 52.40
H-Bond Donors ≤ 52
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

3,4-dihydroxypentadecanoic acid
CID 22348655
(9S,10S)-9-chloro-10-hydroxyoctadecanoic acid
CID 122201337
10-chloro-9-hydroxyoctadecanoic acid
CID 3014115
(9R,10S)-10-chloro-9-hydroxyoctadecanoic acid
CID 121231139
4-bromo-3-hydroxydodecanoic acid
CID 88665976
2-(1,2-dichloroundecyl)butanedioic acid
CID 14325592
(7R,8R)-7,8-dichlorohexadecanoic acid
CID 98055141
3-hydroxy-4-methylnonanoic acid
CID 118395332
3-hydroxyoctadecanoic acid
CID 158545826
3-hydroxytetracosanoic acid
CID 5312781
3-tetradecyloctadecanoic acid
CID 18954670
3-heptylpentanedioic acid
CID 14574131

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-hydroxydecanoic acid?
The IUPAC name of 4-chloro-3-hydroxydecanoic acid (CID 88665984) is 4-chloro-3-hydroxydecanoic acid.
What is the SMILES notation for 4-chloro-3-hydroxydecanoic acid?
The canonical SMILES for 4-chloro-3-hydroxydecanoic acid is CCCCCCC(Cl)C(O)CC(=O)O.
What is the InChIKey of 4-chloro-3-hydroxydecanoic acid?
The InChIKey is WLSBHOJJJXNRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO3/c1-2-3-4-5-6-8(11)9(12)7-10(13)14/h8-9,12H,2-7H2,1H3,(H,13,14).
What are the key properties of 4-chloro-3-hydroxydecanoic acid?
4-chloro-3-hydroxydecanoic acid has a molecular weight of 222.71 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-hydroxydecanoic acid is sourced from PubChem (CID 88665984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).