3,3-dichloro-13-(4-chlorophenyl)tridec-1-en-2-ol

C19H27Cl3O — CID 89217400

IUPAC3,3-dichloro-13-(4-chlorophenyl)tridec-1-en-2-ol
SMILESC=C(O)C(Cl)(Cl)CCCCCCCCCCc1ccc(Cl)cc1
InChIInChI=1S/C19H27Cl3O/c1-16(23)19(21,22)15-9-7-5-3-2-4-6-8-10-17-11-13-18(20)14-12-17/h11-14,23H,1-10,15H2
InChIKeyPXEMJNUZKHNDHM-UHFFFAOYSA-N
MW377.78 g/mol
LogP7.64
Rot. Bonds12

About 3,3-dichloro-13-(4-chlorophenyl)tridec-1-en-2-ol

3,3-dichloro-13-(4-chlorophenyl)tridec-1-en-2-ol (PubChem CID 89217400) has the molecular formula C19H27Cl3O and a molecular weight of 377.78 g/mol. Its IUPAC name is 3,3-dichloro-13-(4-chlorophenyl)tridec-1-en-2-ol.

Molecular Properties

Compound Name3,3-dichloro-13-(4-chlorophenyl)tridec-1-en-2-ol
PubChem CID89217400
Molecular FormulaC19H27Cl3O
Molecular Weight377.78 g/mol
Exact Mass376.11
IUPAC Name3,3-dichloro-13-(4-chlorophenyl)tridec-1-en-2-ol
SMILESC=C(O)C(Cl)(Cl)CCCCCCCCCCc1ccc(Cl)cc1
InChIInChI=1S/C19H27Cl3O/c1-16(23)19(21,22)15-9-7-5-3-2-4-6-8-10-17-11-13-18(20)14-12-17/h11-14,23H,1-10,15H2
InChIKeyPXEMJNUZKHNDHM-UHFFFAOYSA-N
XLogP7.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.78
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 150559838
9-(4-chlorophenyl)-2-methylidenenonanoic acid
CID 20544233
1-(10-bromodecyl)-4-chlorobenzene
CID 10782757
N-[3-(4-chlorophenyl)propyl]hydroxylamine
CID 23199734
2,2-dichloro-12-(4-chlorophenyl)-11-hydroxydodecanoic acid
CID 11200291
2-[4-(4-chlorophenyl)butyl]propanedioic acid
CID 135387064
2-[6-(4-chlorophenyl)hexoxy]ethanol
CID 54545244
1,4-bis(10,10-dimethylundecyl)benzene
CID 151982772
2-chloro-4-(4-chlorophenyl)-2-methylbutanamide
CID 67225206
trichloro-[4-(4-chlorophenyl)butyl]silane
CID 69458411
3-(4-chlorophenyl)propylhydrazine
CID 53402686
4-(4-chlorophenyl)-N-methylbutan-1-amine;molecular hydrogen
CID 158339832

Frequently Asked Questions

What is the IUPAC name of 3,3-dichloro-13-(4-chlorophenyl)tridec-1-en-2-ol?
The IUPAC name of 3,3-dichloro-13-(4-chlorophenyl)tridec-1-en-2-ol (CID 89217400) is 3,3-dichloro-13-(4-chlorophenyl)tridec-1-en-2-ol.
What is the SMILES notation for 3,3-dichloro-13-(4-chlorophenyl)tridec-1-en-2-ol?
The canonical SMILES for 3,3-dichloro-13-(4-chlorophenyl)tridec-1-en-2-ol is C=C(O)C(Cl)(Cl)CCCCCCCCCCc1ccc(Cl)cc1.
What is the InChIKey of 3,3-dichloro-13-(4-chlorophenyl)tridec-1-en-2-ol?
The InChIKey is PXEMJNUZKHNDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27Cl3O/c1-16(23)19(21,22)15-9-7-5-3-2-4-6-8-10-17-11-13-18(20)14-12-17/h11-14,23H,1-10,15H2.
What are the key properties of 3,3-dichloro-13-(4-chlorophenyl)tridec-1-en-2-ol?
3,3-dichloro-13-(4-chlorophenyl)tridec-1-en-2-ol has a molecular weight of 377.78 g/mol, XLogP of 7.64, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloro-13-(4-chlorophenyl)tridec-1-en-2-ol is sourced from PubChem (CID 89217400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).