1-(2,5-dichlorophenyl)-3-ethylheptan-2-ol

C15H22Cl2O — CID 115801993

IUPAC1-(2,5-dichlorophenyl)-3-ethylheptan-2-ol
SMILESCCCCC(CC)C(O)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H22Cl2O/c1-3-5-6-11(4-2)15(18)10-12-9-13(16)7-8-14(12)17/h7-9,11,15,18H,3-6,10H2,1-2H3
InChIKeyWFUJCPFQMRPRSG-UHFFFAOYSA-N
MW289.25 g/mol
LogP5.11
Rot. Bonds7

About 1-(2,5-dichlorophenyl)-3-ethylheptan-2-ol

1-(2,5-dichlorophenyl)-3-ethylheptan-2-ol (PubChem CID 115801993) has the molecular formula C15H22Cl2O and a molecular weight of 289.25 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-ethylheptan-2-ol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-ethylheptan-2-ol
PubChem CID115801993
Molecular FormulaC15H22Cl2O
Molecular Weight289.25 g/mol
Exact Mass288.10
IUPAC Name1-(2,5-dichlorophenyl)-3-ethylheptan-2-ol
SMILESCCCCC(CC)C(O)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H22Cl2O/c1-3-5-6-11(4-2)15(18)10-12-9-13(16)7-8-14(12)17/h7-9,11,15,18H,3-6,10H2,1-2H3
InChIKeyWFUJCPFQMRPRSG-UHFFFAOYSA-N
XLogP5.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.25
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dichlorophenyl)-3-ethyl-N-methylheptan-2-amine
CID 115863064
1,4-dichloro-2-(2-methylhexyl)benzene
CID 174519359
1-(3-chlorophenyl)-3-ethylheptan-2-ol
CID 63517929
1-(2,4-dichlorophenyl)-3-ethylpentan-2-ol
CID 65148381
1-(2,4-dichlorophenyl)-2-ethylhexan-1-ol
CID 55200196
1-(4-bromo-2-fluorophenyl)-3-ethylheptan-2-ol
CID 115788477
1-(5-chloro-2-methoxyphenyl)-3-propylhexan-2-ol
CID 115788751
1-(2,5-dichlorophenyl)hexane-3,4-diol
CID 83931430
1-(2,5-dichlorophenyl)-N-methylnonan-2-amine
CID 115863293
1-(2,5-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 116713299
3-[(2,5-dichlorophenyl)methyl]-N-propylpentan-2-amine
CID 65316933
1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 65316618

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-ethylheptan-2-ol?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-ethylheptan-2-ol (CID 115801993) is 1-(2,5-dichlorophenyl)-3-ethylheptan-2-ol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-ethylheptan-2-ol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-ethylheptan-2-ol is CCCCC(CC)C(O)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-ethylheptan-2-ol?
The InChIKey is WFUJCPFQMRPRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2O/c1-3-5-6-11(4-2)15(18)10-12-9-13(16)7-8-14(12)17/h7-9,11,15,18H,3-6,10H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-3-ethylheptan-2-ol?
1-(2,5-dichlorophenyl)-3-ethylheptan-2-ol has a molecular weight of 289.25 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-ethylheptan-2-ol is sourced from PubChem (CID 115801993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).