2,2-dichloro-12-(4-chlorophenyl)-11-hydroxydodecanoic acid

C18H25Cl3O3 — CID 11200291

IUPAC2,2-dichloro-12-(4-chlorophenyl)-11-hydroxydodecanoic acid
SMILESO=C(O)C(Cl)(Cl)CCCCCCCCC(O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H25Cl3O3/c19-15-10-8-14(9-11-15)13-16(22)7-5-3-1-2-4-6-12-18(20,21)17(23)24/h8-11,16,22H,1-7,12-13H2,(H,23,24)
InChIKeyCIKFPNRPYBXWEC-UHFFFAOYSA-N
MW395.75 g/mol
LogP5.62
Rot. Bonds12

About 2,2-dichloro-12-(4-chlorophenyl)-11-hydroxydodecanoic acid

2,2-dichloro-12-(4-chlorophenyl)-11-hydroxydodecanoic acid (PubChem CID 11200291) has the molecular formula C18H25Cl3O3 and a molecular weight of 395.75 g/mol. Its IUPAC name is 2,2-dichloro-12-(4-chlorophenyl)-11-hydroxydodecanoic acid.

Molecular Properties

Compound Name2,2-dichloro-12-(4-chlorophenyl)-11-hydroxydodecanoic acid
PubChem CID11200291
Molecular FormulaC18H25Cl3O3
Molecular Weight395.75 g/mol
Exact Mass394.09
IUPAC Name2,2-dichloro-12-(4-chlorophenyl)-11-hydroxydodecanoic acid
SMILESO=C(O)C(Cl)(Cl)CCCCCCCCC(O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H25Cl3O3/c19-15-10-8-14(9-11-15)13-16(22)7-5-3-1-2-4-6-12-18(20,21)17(23)24/h8-11,16,22H,1-7,12-13H2,(H,23,24)
InChIKeyCIKFPNRPYBXWEC-UHFFFAOYSA-N
XLogP5.62
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.75
LogP ≤ 55.62
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

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CID 19824078
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CID 70557750
3,3-dichloro-13-(4-chlorophenyl)tridec-1-en-2-ol
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7-(4-chlorophenyl)-2-hydroxy-2-methylheptanoic acid
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2-[(4-chlorophenyl)methyl]tetradecanoic acid
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6-amino-2-[(4-chlorophenyl)methyl]hexanoic acid
CID 104681512
1-(4-tert-butylphenyl)-3-(4-chlorophenyl)propan-2-ol
CID 63410107
(2R)-2-azaniumyl-3-(4-chlorophenyl)propanoate
CID 6918890
(2S,5S)-1-phenylpentadecane-2,5-diol
CID 98091747
1-(4-chlorophenyl)-4-phenoxybutan-2-ol
CID 60798401
1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60798023

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-12-(4-chlorophenyl)-11-hydroxydodecanoic acid?
The IUPAC name of 2,2-dichloro-12-(4-chlorophenyl)-11-hydroxydodecanoic acid (CID 11200291) is 2,2-dichloro-12-(4-chlorophenyl)-11-hydroxydodecanoic acid.
What is the SMILES notation for 2,2-dichloro-12-(4-chlorophenyl)-11-hydroxydodecanoic acid?
The canonical SMILES for 2,2-dichloro-12-(4-chlorophenyl)-11-hydroxydodecanoic acid is O=C(O)C(Cl)(Cl)CCCCCCCCC(O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2,2-dichloro-12-(4-chlorophenyl)-11-hydroxydodecanoic acid?
The InChIKey is CIKFPNRPYBXWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl3O3/c19-15-10-8-14(9-11-15)13-16(22)7-5-3-1-2-4-6-12-18(20,21)17(23)24/h8-11,16,22H,1-7,12-13H2,(H,23,24).
What are the key properties of 2,2-dichloro-12-(4-chlorophenyl)-11-hydroxydodecanoic acid?
2,2-dichloro-12-(4-chlorophenyl)-11-hydroxydodecanoic acid has a molecular weight of 395.75 g/mol, XLogP of 5.62, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-12-(4-chlorophenyl)-11-hydroxydodecanoic acid is sourced from PubChem (CID 11200291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).