1-chloro-4-[2-methoxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene

C19H23ClO2S — CID 155719019

IUPAC1-chloro-4-[2-methoxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene
SMILESCOC(COc1ccc(C(C)C)cc1)CSc1ccc(Cl)cc1
InChIInChI=1S/C19H23ClO2S/c1-14(2)15-4-8-17(9-5-15)22-12-18(21-3)13-23-19-10-6-16(20)7-11-19/h4-11,14,18H,12-13H2,1-3H3
InChIKeyNJMYZWZGKAUKMO-UHFFFAOYSA-N
MW350.91 g/mol
LogP5.65
Rot. Bonds8

About 1-chloro-4-[2-methoxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene

1-chloro-4-[2-methoxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene (PubChem CID 155719019) has the molecular formula C19H23ClO2S and a molecular weight of 350.91 g/mol. Its IUPAC name is 1-chloro-4-[2-methoxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene.

Molecular Properties

Compound Name1-chloro-4-[2-methoxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene
PubChem CID155719019
Molecular FormulaC19H23ClO2S
Molecular Weight350.91 g/mol
Exact Mass350.11
IUPAC Name1-chloro-4-[2-methoxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene
SMILESCOC(COc1ccc(C(C)C)cc1)CSc1ccc(Cl)cc1
InChIInChI=1S/C19H23ClO2S/c1-14(2)15-4-8-17(9-5-15)22-12-18(21-3)13-23-19-10-6-16(20)7-11-19/h4-11,14,18H,12-13H2,1-3H3
InChIKeyNJMYZWZGKAUKMO-UHFFFAOYSA-N
XLogP5.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.91
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-chloro-4-[2-methoxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene 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-chloro-4-[2-methoxy-3-(4-methylphenoxy)propyl]sulfanylbenzene;ethane
CID 155718948
1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene
CID 155280028
[1-(4-chlorophenyl)sulfanyl-3-(4-propan-2-ylphenoxy)propan-2-yl] 4-(2-methylprop-2-enoyloxy)butanoate
CID 158968959
(2R)-1-(4-chlorophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 35672224
1-methoxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene
CID 163393243
[1-(4-chlorophenoxy)-3-phenylsulfanylpropan-2-yl] prop-2-enoate
CID 58961721
2-methoxy-3-(4-methoxyphenyl)sulfanylpropan-1-amine
CID 105484979
1-chloro-4-[3-(4-ethoxyphenoxy)propylsulfanyl]benzene
CID 2283089
N,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline
CID 90397573
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 82027704
3-(4-chlorophenyl)sulfanyl-2-ethoxypropan-1-amine
CID 63069685
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine
CID 81356975

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-methoxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene?
The IUPAC name of 1-chloro-4-[2-methoxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene (CID 155719019) is 1-chloro-4-[2-methoxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene.
What is the SMILES notation for 1-chloro-4-[2-methoxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene?
The canonical SMILES for 1-chloro-4-[2-methoxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene is COC(COc1ccc(C(C)C)cc1)CSc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[2-methoxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene?
The InChIKey is NJMYZWZGKAUKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClO2S/c1-14(2)15-4-8-17(9-5-15)22-12-18(21-3)13-23-19-10-6-16(20)7-11-19/h4-11,14,18H,12-13H2,1-3H3.
What are the key properties of 1-chloro-4-[2-methoxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene?
1-chloro-4-[2-methoxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene has a molecular weight of 350.91 g/mol, XLogP of 5.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-methoxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene is sourced from PubChem (CID 155719019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).