1,3-dichloro-2-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]benzene

C19H20Cl2O2 — CID 21221257

IUPAC1,3-dichloro-2-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]benzene
SMILESCOc1ccc(Cc2c(Cl)cccc2Cl)cc1OC1CCCC1
InChIInChI=1S/C19H20Cl2O2/c1-22-18-10-9-13(11-15-16(20)7-4-8-17(15)21)12-19(18)23-14-5-2-3-6-14/h4,7-10,12,14H,2-3,5-6,11H2,1H3
InChIKeyHLDUTUOLSLBEBT-UHFFFAOYSA-N
MW351.27 g/mol
LogP5.91
Rot. Bonds5

About 1,3-dichloro-2-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]benzene

1,3-dichloro-2-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]benzene (PubChem CID 21221257) has the molecular formula C19H20Cl2O2 and a molecular weight of 351.27 g/mol. Its IUPAC name is 1,3-dichloro-2-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]benzene
PubChem CID21221257
Molecular FormulaC19H20Cl2O2
Molecular Weight351.27 g/mol
Exact Mass350.08
IUPAC Name1,3-dichloro-2-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]benzene
SMILESCOc1ccc(Cc2c(Cl)cccc2Cl)cc1OC1CCCC1
InChIInChI=1S/C19H20Cl2O2/c1-22-18-10-9-13(11-15-16(20)7-4-8-17(15)21)12-19(18)23-14-5-2-3-6-14/h4,7-10,12,14H,2-3,5-6,11H2,1H3
InChIKeyHLDUTUOLSLBEBT-UHFFFAOYSA-N
XLogP5.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.27
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3-dichloro-2-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]benzene 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

(3-cyclopentyloxy-4-methoxyphenyl)methyl cyclohexanecarboxylate
CID 174456641
(3-cyclopentyloxy-4-methoxyphenyl)methylhydrazine
CID 143235659
2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425
2-(3-cyclopentyloxy-4-methoxyphenyl)acetonitrile;hydrochloride
CID 172691211
3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1,2-oxazol-5-amine
CID 67811905
(3-cyclopentyloxy-4-methoxyphenyl)methyl-(3,5-dichloro-4-pyridinyl)azanium dichloride
CID 22123182
1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine
CID 117346957
3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865862
methyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]benzoate
CID 23222832
1-[(3-cyclobutyloxy-4-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117374029
2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)-N-methylethanamine
CID 117456580
3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpropanenitrile
CID 70064225

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]benzene?
The IUPAC name of 1,3-dichloro-2-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]benzene (CID 21221257) is 1,3-dichloro-2-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]benzene.
What is the SMILES notation for 1,3-dichloro-2-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]benzene?
The canonical SMILES for 1,3-dichloro-2-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]benzene is COc1ccc(Cc2c(Cl)cccc2Cl)cc1OC1CCCC1.
What is the InChIKey of 1,3-dichloro-2-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]benzene?
The InChIKey is HLDUTUOLSLBEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2O2/c1-22-18-10-9-13(11-15-16(20)7-4-8-17(15)21)12-19(18)23-14-5-2-3-6-14/h4,7-10,12,14H,2-3,5-6,11H2,1H3.
What are the key properties of 1,3-dichloro-2-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]benzene?
1,3-dichloro-2-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]benzene has a molecular weight of 351.27 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]benzene is sourced from PubChem (CID 21221257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).