5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]pyridine

C29H31NO4S — CID 71105102

IUPAC5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]pyridine
SMILESCOc1cccc(OC(C)C)c1-c1ccc(-c2ccc(-c3c(OC)cccc3OC(C)C)s2)nc1
InChIInChI=1S/C29H31NO4S/c1-18(2)33-24-11-7-9-22(31-5)28(24)20-13-14-21(30-17-20)26-15-16-27(35-26)29-23(32-6)10-8-12-25(29)34-19(3)4/h7-19H,1-6H3
InChIKeyXVWNTZQNWJVLSM-UHFFFAOYSA-N
MW489.64 g/mol
LogP7.74
Rot. Bonds9

About 5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]pyridine

5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]pyridine (PubChem CID 71105102) has the molecular formula C29H31NO4S and a molecular weight of 489.64 g/mol. Its IUPAC name is 5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]pyridine.

Molecular Properties

Compound Name5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]pyridine
PubChem CID71105102
Molecular FormulaC29H31NO4S
Molecular Weight489.64 g/mol
Exact Mass489.20
IUPAC Name5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]pyridine
SMILESCOc1cccc(OC(C)C)c1-c1ccc(-c2ccc(-c3c(OC)cccc3OC(C)C)s2)nc1
InChIInChI=1S/C29H31NO4S/c1-18(2)33-24-11-7-9-22(31-5)28(24)20-13-14-21(30-17-20)26-15-16-27(35-26)29-23(32-6)10-8-12-25(29)34-19(3)4/h7-19H,1-6H3
InChIKeyXVWNTZQNWJVLSM-UHFFFAOYSA-N
XLogP7.74
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.64
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-Pyridin-2-yl-5-(thiophen-3-ylmethoxy)-phenoxy]-4-o-tolyl-butyric acid
CID 10504148
3-[4-Methoxy-2-(2-phenylethoxy)phenyl]pyridine
CID 118735176
N-[(2,6-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 46955527
4-pyridin-2-yl-2-thiophen-3-yl-5H-chromeno[4,3-b]pyridine
CID 53375781
N'-[4-(5-phenylthiophen-2-yl)-3-propan-2-yloxyphenyl]pyridine-2-carboximidamide
CID 127029410
2-[[3-Methoxy-2-(4-methoxyphenyl)phenoxy]methyl]pyridine
CID 145986469
2-[[5-Methoxy-2-(4-methoxyphenyl)phenoxy]methyl]pyridine
CID 145991436
4-pyridin-2-yl-2-thiophen-2-yl-5H-chromeno[4,3-b]pyridine
CID 53375780
N-[(2,4-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 110222134
2-[(4-Methoxyphenyl)-thiophen-2-ylmethyl]pyridine
CID 162658063
2-[2-(4-Methoxyphenyl)thiophen-3-yl]pyridine
CID 101807046
2-[(4-Methylphenyl)sulfonyl-(2,4,6-trimethoxyphenyl)methyl]pyridine
CID 149160974

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]pyridine?
The IUPAC name of 5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]pyridine (CID 71105102) is 5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]pyridine.
What is the SMILES notation for 5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]pyridine?
The canonical SMILES for 5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]pyridine is COc1cccc(OC(C)C)c1-c1ccc(-c2ccc(-c3c(OC)cccc3OC(C)C)s2)nc1.
What is the InChIKey of 5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]pyridine?
The InChIKey is XVWNTZQNWJVLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31NO4S/c1-18(2)33-24-11-7-9-22(31-5)28(24)20-13-14-21(30-17-20)26-15-16-27(35-26)29-23(32-6)10-8-12-25(29)34-19(3)4/h7-19H,1-6H3.
What are the key properties of 5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]pyridine?
5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]pyridine has a molecular weight of 489.64 g/mol, XLogP of 7.74, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]pyridine is sourced from PubChem (CID 71105102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).