(1-methoxy-1-phenylpentan-3-yl)benzene;2-(3-propan-2-yl-1-benzothiophen-2-yl)pyridine

C34H37NOS — CID 144541012

IUPAC(1-methoxy-1-phenylpentan-3-yl)benzene;2-(3-propan-2-yl-1-benzothiophen-2-yl)pyridine
SMILESCC(C)c1c(-c2ccccn2)sc2ccccc12.CCC(CC(OC)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O.C16H15NS/c1-3-15(16-10-6-4-7-11-16)14-18(19-2)17-12-8-5-9-13-17;1-11(2)15-12-7-3-4-9-14(12)18-16(15)13-8-5-6-10-17-13/h4-13,15,18H,3,14H2,1-2H3;3-11H,1-2H3
InChIKeyCRYBUFHUNVYGSL-UHFFFAOYSA-N
MW507.74 g/mol
LogP10.04
Rot. Bonds8

About (1-methoxy-1-phenylpentan-3-yl)benzene;2-(3-propan-2-yl-1-benzothiophen-2-yl)pyridine

(1-methoxy-1-phenylpentan-3-yl)benzene;2-(3-propan-2-yl-1-benzothiophen-2-yl)pyridine (PubChem CID 144541012) has the molecular formula C34H37NOS and a molecular weight of 507.74 g/mol. Its IUPAC name is (1-methoxy-1-phenylpentan-3-yl)benzene;2-(3-propan-2-yl-1-benzothiophen-2-yl)pyridine.

Molecular Properties

Compound Name(1-methoxy-1-phenylpentan-3-yl)benzene;2-(3-propan-2-yl-1-benzothiophen-2-yl)pyridine
PubChem CID144541012
Molecular FormulaC34H37NOS
Molecular Weight507.74 g/mol
Exact Mass507.26
IUPAC Name(1-methoxy-1-phenylpentan-3-yl)benzene;2-(3-propan-2-yl-1-benzothiophen-2-yl)pyridine
SMILESCC(C)c1c(-c2ccccn2)sc2ccccc12.CCC(CC(OC)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O.C16H15NS/c1-3-15(16-10-6-4-7-11-16)14-18(19-2)17-12-8-5-9-13-17;1-11(2)15-12-7-3-4-9-14(12)18-16(15)13-8-5-6-10-17-13/h4-13,15,18H,3,14H2,1-2H3;3-11H,1-2H3
InChIKeyCRYBUFHUNVYGSL-UHFFFAOYSA-N
XLogP10.04
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.74
LogP ≤ 510.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-methoxy-1-phenylpentan-3-yl)benzene;2-(3-propan-2-yl-1-benzothiophen-2-yl)pyridine 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

(-)-(R)-2-(3-(1-(2-methoxypyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 11695811
rac-2-(3-(1-(6-methoxypyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 46884154
1'-[(1-Methylindol-3-yl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 145989302
4-[(E)-2-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]ethenyl]pyridine
CID 44202249
2-(3-Methoxy-1-benzothiophen-2-yl)pyridine
CID 44429807
[2-(1-Benzothiophen-2-yl)-3-pyridinyl]methanol
CID 46228243
[4-(1-Benzothien-2-yl)-2-pyridinyl]methanol
CID 39814985
1-[2-[2-(Dimethylamino)ethyl]-1-benzothiophen-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol
CID 69654092
2-[2-[2-(Dimethylamino)ethyl]-1-benzothiophen-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol
CID 69654097
1-[2-[2-(Dimethylamino)ethyl]-1-benzothiophen-3-yl]-2-(3-fluoro-2-pyridinyl)ethanol
CID 69654162
2-[2-[2-(Dimethylamino)ethyl]-1-benzothiophen-3-yl]-2-(3-fluoro-2-pyridinyl)ethanol
CID 69654163
4-[5-(Ethoxymethyl)-2-(4-fluorophenyl)thiophen-3-yl]pyridine
CID 130445377

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-1-phenylpentan-3-yl)benzene;2-(3-propan-2-yl-1-benzothiophen-2-yl)pyridine?
The IUPAC name of (1-methoxy-1-phenylpentan-3-yl)benzene;2-(3-propan-2-yl-1-benzothiophen-2-yl)pyridine (CID 144541012) is (1-methoxy-1-phenylpentan-3-yl)benzene;2-(3-propan-2-yl-1-benzothiophen-2-yl)pyridine.
What is the SMILES notation for (1-methoxy-1-phenylpentan-3-yl)benzene;2-(3-propan-2-yl-1-benzothiophen-2-yl)pyridine?
The canonical SMILES for (1-methoxy-1-phenylpentan-3-yl)benzene;2-(3-propan-2-yl-1-benzothiophen-2-yl)pyridine is CC(C)c1c(-c2ccccn2)sc2ccccc12.CCC(CC(OC)c1ccccc1)c1ccccc1.
What is the InChIKey of (1-methoxy-1-phenylpentan-3-yl)benzene;2-(3-propan-2-yl-1-benzothiophen-2-yl)pyridine?
The InChIKey is CRYBUFHUNVYGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O.C16H15NS/c1-3-15(16-10-6-4-7-11-16)14-18(19-2)17-12-8-5-9-13-17;1-11(2)15-12-7-3-4-9-14(12)18-16(15)13-8-5-6-10-17-13/h4-13,15,18H,3,14H2,1-2H3;3-11H,1-2H3.
What are the key properties of (1-methoxy-1-phenylpentan-3-yl)benzene;2-(3-propan-2-yl-1-benzothiophen-2-yl)pyridine?
(1-methoxy-1-phenylpentan-3-yl)benzene;2-(3-propan-2-yl-1-benzothiophen-2-yl)pyridine has a molecular weight of 507.74 g/mol, XLogP of 10.04, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-1-phenylpentan-3-yl)benzene;2-(3-propan-2-yl-1-benzothiophen-2-yl)pyridine is sourced from PubChem (CID 144541012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).