1-(2,4-dichlorophenyl)-3-methylidenepentan-1-ol

C12H14Cl2O — CID 115817552

IUPAC1-(2,4-dichlorophenyl)-3-methylidenepentan-1-ol
SMILESC=C(CC)CC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2O/c1-3-8(2)6-12(15)10-5-4-9(13)7-11(10)14/h4-5,7,12,15H,2-3,6H2,1H3
InChIKeyPGUFDZGCSPRUAT-UHFFFAOYSA-N
MW245.15 g/mol
LogP4.38
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-3-methylidenepentan-1-ol

1-(2,4-dichlorophenyl)-3-methylidenepentan-1-ol (PubChem CID 115817552) has the molecular formula C12H14Cl2O and a molecular weight of 245.15 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-methylidenepentan-1-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-methylidenepentan-1-ol
PubChem CID115817552
Molecular FormulaC12H14Cl2O
Molecular Weight245.15 g/mol
Exact Mass244.04
IUPAC Name1-(2,4-dichlorophenyl)-3-methylidenepentan-1-ol
SMILESC=C(CC)CC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2O/c1-3-8(2)6-12(15)10-5-4-9(13)7-11(10)14/h4-5,7,12,15H,2-3,6H2,1H3
InChIKeyPGUFDZGCSPRUAT-UHFFFAOYSA-N
XLogP4.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(2,4-dichlorophenyl)-3-methylidenepentan-1-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-(2,5-dichlorophenyl)-3-methylidenepentan-1-ol
CID 115817515
1-(2-chlorofuran-3-yl)-3-methylidenepentan-1-ol
CID 106693858
1-(3,5-dichloro-2-pyridinyl)-3-methylidenepentan-1-ol
CID 79780608
1-(2,4-dichlorophenyl)-2-sulfanylethanol
CID 116830061
2-(2,4-dichlorophenyl)pentan-3-ol
CID 79297929
1-(2,4-dichlorophenyl)-4-methylpentan-1-ol
CID 61272351
1-(2,4-dichlorophenyl)-2-(dimethylamino)ethanol
CID 15501082
1-(2,4-dichlorophenyl)-3-methylhexan-1-ol
CID 65151033
1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine
CID 66039712
[1-(2-chloro-4-methylphenyl)-3-methylidenepentyl]hydrazine
CID 106860054
2-[butyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanol
CID 82215902
3-(2,4-dichlorophenyl)-3-hydroxypropanal
CID 114795177

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-methylidenepentan-1-ol?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-methylidenepentan-1-ol (CID 115817552) is 1-(2,4-dichlorophenyl)-3-methylidenepentan-1-ol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-methylidenepentan-1-ol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-methylidenepentan-1-ol is C=C(CC)CC(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-methylidenepentan-1-ol?
The InChIKey is PGUFDZGCSPRUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O/c1-3-8(2)6-12(15)10-5-4-9(13)7-11(10)14/h4-5,7,12,15H,2-3,6H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-3-methylidenepentan-1-ol?
1-(2,4-dichlorophenyl)-3-methylidenepentan-1-ol has a molecular weight of 245.15 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-methylidenepentan-1-ol is sourced from PubChem (CID 115817552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).