2-chloro-12-(4-chlorophenyl)-10-hydroxydodecanoic acid

C18H26Cl2O3 — CID 174488314

IUPAC2-chloro-12-(4-chlorophenyl)-10-hydroxydodecanoic acid
SMILESO=C(O)C(Cl)CCCCCCCC(O)CCc1ccc(Cl)cc1
InChIInChI=1S/C18H26Cl2O3/c19-15-11-8-14(9-12-15)10-13-16(21)6-4-2-1-3-5-7-17(20)18(22)23/h8-9,11-12,16-17,21H,1-7,10,13H2,(H,22,23)
InChIKeyRUOXHQDODUVUKH-UHFFFAOYSA-N
MW361.31 g/mol
LogP5.06
Rot. Bonds12

About 2-chloro-12-(4-chlorophenyl)-10-hydroxydodecanoic acid

2-chloro-12-(4-chlorophenyl)-10-hydroxydodecanoic acid (PubChem CID 174488314) has the molecular formula C18H26Cl2O3 and a molecular weight of 361.31 g/mol. Its IUPAC name is 2-chloro-12-(4-chlorophenyl)-10-hydroxydodecanoic acid.

Molecular Properties

Compound Name2-chloro-12-(4-chlorophenyl)-10-hydroxydodecanoic acid
PubChem CID174488314
Molecular FormulaC18H26Cl2O3
Molecular Weight361.31 g/mol
Exact Mass360.13
IUPAC Name2-chloro-12-(4-chlorophenyl)-10-hydroxydodecanoic acid
SMILESO=C(O)C(Cl)CCCCCCCC(O)CCc1ccc(Cl)cc1
InChIInChI=1S/C18H26Cl2O3/c19-15-11-8-14(9-12-15)10-13-16(21)6-4-2-1-3-5-7-17(20)18(22)23/h8-9,11-12,16-17,21H,1-7,10,13H2,(H,22,23)
InChIKeyRUOXHQDODUVUKH-UHFFFAOYSA-N
XLogP5.06
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.31
LogP ≤ 55.06
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

2-[4-(4-chlorophenyl)butyl]propanedioic acid
CID 135387064
(2S)-2,4-bis(4-chlorophenyl)butanoic acid
CID 129322566
2-[2-(4-chlorophenyl)ethyl]-4-phenylbutanoic acid
CID 70553032
3-chloro-5-(4-chlorophenyl)pentanoic acid
CID 22472002
2-chloro-14-[(4-chlorophenyl)sulfonylamino]tetradecanoic acid
CID 150676400
2,2-dichloro-12-(4-chlorophenyl)-11-hydroxydodecanoic acid
CID 11200291
2-chloro-7-[4-[(4-fluorophenyl)methoxy]phenyl]heptanoic acid
CID 139937334
methyl 2-chloro-12-(4-chlorophenyl)-12-hydroxydodecanoate
CID 174502469
(3S)-3-amino-6-(4-chlorophenyl)hexanoic acid
CID 58633540
1-amino-3-(4-chlorophenyl)propan-1-ol
CID 68900643
1-(4-methylphenyl)dodecan-3-ol
CID 105084894
4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid
CID 134304846

Frequently Asked Questions

What is the IUPAC name of 2-chloro-12-(4-chlorophenyl)-10-hydroxydodecanoic acid?
The IUPAC name of 2-chloro-12-(4-chlorophenyl)-10-hydroxydodecanoic acid (CID 174488314) is 2-chloro-12-(4-chlorophenyl)-10-hydroxydodecanoic acid.
What is the SMILES notation for 2-chloro-12-(4-chlorophenyl)-10-hydroxydodecanoic acid?
The canonical SMILES for 2-chloro-12-(4-chlorophenyl)-10-hydroxydodecanoic acid is O=C(O)C(Cl)CCCCCCCC(O)CCc1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-12-(4-chlorophenyl)-10-hydroxydodecanoic acid?
The InChIKey is RUOXHQDODUVUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2O3/c19-15-11-8-14(9-12-15)10-13-16(21)6-4-2-1-3-5-7-17(20)18(22)23/h8-9,11-12,16-17,21H,1-7,10,13H2,(H,22,23).
What are the key properties of 2-chloro-12-(4-chlorophenyl)-10-hydroxydodecanoic acid?
2-chloro-12-(4-chlorophenyl)-10-hydroxydodecanoic acid has a molecular weight of 361.31 g/mol, XLogP of 5.06, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-12-(4-chlorophenyl)-10-hydroxydodecanoic acid is sourced from PubChem (CID 174488314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).