2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)-3-phenylthiophene

C30H32O4S — CID 71105084

IUPAC2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)-3-phenylthiophene
SMILESCOc1cccc(OC(C)C)c1-c1cc(-c2ccccc2)c(-c2c(OC)cccc2OC(C)C)s1
InChIInChI=1S/C30H32O4S/c1-19(2)33-25-16-10-14-23(31-5)28(25)27-18-22(21-12-8-7-9-13-21)30(35-27)29-24(32-6)15-11-17-26(29)34-20(3)4/h7-20H,1-6H3
InChIKeyQYZDZUJILUNZFN-UHFFFAOYSA-N
MW488.65 g/mol
LogP8.34
Rot. Bonds9

About 2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)-3-phenylthiophene

2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)-3-phenylthiophene (PubChem CID 71105084) has the molecular formula C30H32O4S and a molecular weight of 488.65 g/mol. Its IUPAC name is 2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)-3-phenylthiophene.

Molecular Properties

Compound Name2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)-3-phenylthiophene
PubChem CID71105084
Molecular FormulaC30H32O4S
Molecular Weight488.65 g/mol
Exact Mass488.20
IUPAC Name2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)-3-phenylthiophene
SMILESCOc1cccc(OC(C)C)c1-c1cc(-c2ccccc2)c(-c2c(OC)cccc2OC(C)C)s1
InChIInChI=1S/C30H32O4S/c1-19(2)33-25-16-10-14-23(31-5)28(25)27-18-22(21-12-8-7-9-13-21)30(35-27)29-24(32-6)15-11-17-26(29)34-20(3)4/h7-20H,1-6H3
InChIKeyQYZDZUJILUNZFN-UHFFFAOYSA-N
XLogP8.34
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.65
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-[5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]thiophen-3-yl]pyridine
CID 123796781
2,5-bis[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]thiophene
CID 71105098
5-(2-methoxyphenyl)-2,3-diphenylthiophene
CID 54166274
2-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-5-[5-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene
CID 123458181
ethyl 2-[2-[4-(2-ethoxy-2-oxoethyl)-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-3-yl]acetate
CID 129069085
ethyl 2-[2-[5-[5-[5-[3-(2-ethoxy-2-oxoethyl)-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-3-yl]acetate
CID 118656644
2-bromo-5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene
CID 123312075
1-[2-(5-bromo-3,4-dimethylthiophen-2-yl)-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-3-yl]propan-2-one
CID 130352993
3-methoxy-2-(2-propan-2-yloxyphenyl)benzoic acid
CID 19594924
3-(3-methoxyphenyl)-2,5-diphenylthiophene
CID 86108193
ethyl 2-[2-[3,6-dimethoxy-2-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-(2-oxopropyl)thiophen-2-yl]thieno[3,2-b]thiophen-5-yl]-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-3-yl]acetate
CID 129061299
1,3-dimethoxy-2-phenylbenzene;hydrochloride
CID 175871248

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)-3-phenylthiophene?
The IUPAC name of 2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)-3-phenylthiophene (CID 71105084) is 2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)-3-phenylthiophene.
What is the SMILES notation for 2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)-3-phenylthiophene?
The canonical SMILES for 2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)-3-phenylthiophene is COc1cccc(OC(C)C)c1-c1cc(-c2ccccc2)c(-c2c(OC)cccc2OC(C)C)s1.
What is the InChIKey of 2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)-3-phenylthiophene?
The InChIKey is QYZDZUJILUNZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32O4S/c1-19(2)33-25-16-10-14-23(31-5)28(25)27-18-22(21-12-8-7-9-13-21)30(35-27)29-24(32-6)15-11-17-26(29)34-20(3)4/h7-20H,1-6H3.
What are the key properties of 2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)-3-phenylthiophene?
2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)-3-phenylthiophene has a molecular weight of 488.65 g/mol, XLogP of 8.34, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)-3-phenylthiophene is sourced from PubChem (CID 71105084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).