1-(2,5-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol

C15H22Cl2O2 — CID 116713299

IUPAC1-(2,5-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
SMILESCCOC(C(O)Cc1cc(Cl)ccc1Cl)C(C)(C)C
InChIInChI=1S/C15H22Cl2O2/c1-5-19-14(15(2,3)4)13(18)9-10-8-11(16)6-7-12(10)17/h6-8,13-14,18H,5,9H2,1-4H3
InChIKeyMZJFDQIEEAJPBP-UHFFFAOYSA-N
MW305.25 g/mol
LogP4.35
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol

1-(2,5-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol (PubChem CID 116713299) has the molecular formula C15H22Cl2O2 and a molecular weight of 305.25 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
PubChem CID116713299
Molecular FormulaC15H22Cl2O2
Molecular Weight305.25 g/mol
Exact Mass304.10
IUPAC Name1-(2,5-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
SMILESCCOC(C(O)Cc1cc(Cl)ccc1Cl)C(C)(C)C
InChIInChI=1S/C15H22Cl2O2/c1-5-19-14(15(2,3)4)13(18)9-10-8-11(16)6-7-12(10)17/h6-8,13-14,18H,5,9H2,1-4H3
InChIKeyMZJFDQIEEAJPBP-UHFFFAOYSA-N
XLogP4.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-2-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 102857480
1-(2,5-dichlorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724247
3-(2,4-dichlorophenyl)-1,1-diethoxypropan-2-ol
CID 79496239
3-ethoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol
CID 116713469
1-(2-bromo-4-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 116713553
3-ethoxy-4,4-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-ol
CID 116713429
1-(2,5-dichlorophenyl)-3-ethylheptan-2-ol
CID 115801993
1-(5-chloro-2-fluorophenyl)-4,4-dimethylpentane-2,3-diol
CID 103457308
1-(2,5-dichlorophenyl)-3-ethoxyhexan-2-one
CID 116708002
1-(2,5-dichlorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
CID 116721742
1-(2,5-dichlorophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
CID 116758892
1-(2,5-dichlorophenyl)-3-ethyl-3-methoxypentan-2-amine
CID 116760652

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol (CID 116713299) is 1-(2,5-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol is CCOC(C(O)Cc1cc(Cl)ccc1Cl)C(C)(C)C.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol?
The InChIKey is MZJFDQIEEAJPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2O2/c1-5-19-14(15(2,3)4)13(18)9-10-8-11(16)6-7-12(10)17/h6-8,13-14,18H,5,9H2,1-4H3.
What are the key properties of 1-(2,5-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol?
1-(2,5-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol has a molecular weight of 305.25 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 116713299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).