2-(3,4-dimethoxyphenyl)-3,4-dimethyl-5-(4-phenylmethoxyphenyl)thiophene

C27H26O3S — CID 139067170

IUPAC2-(3,4-dimethoxyphenyl)-3,4-dimethyl-5-(4-phenylmethoxyphenyl)thiophene
SMILESCOc1ccc(-c2sc(-c3ccc(OCc4ccccc4)cc3)c(C)c2C)cc1OC
InChIInChI=1S/C27H26O3S/c1-18-19(2)27(22-12-15-24(28-3)25(16-22)29-4)31-26(18)21-10-13-23(14-11-21)30-17-20-8-6-5-7-9-20/h5-16H,17H2,1-4H3
InChIKeyUNEGPAYBMCODEF-UHFFFAOYSA-N
MW430.57 g/mol
LogP7.30
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-3,4-dimethyl-5-(4-phenylmethoxyphenyl)thiophene

2-(3,4-dimethoxyphenyl)-3,4-dimethyl-5-(4-phenylmethoxyphenyl)thiophene (PubChem CID 139067170) has the molecular formula C27H26O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3,4-dimethyl-5-(4-phenylmethoxyphenyl)thiophene.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3,4-dimethyl-5-(4-phenylmethoxyphenyl)thiophene
PubChem CID139067170
Molecular FormulaC27H26O3S
Molecular Weight430.57 g/mol
Exact Mass430.16
IUPAC Name2-(3,4-dimethoxyphenyl)-3,4-dimethyl-5-(4-phenylmethoxyphenyl)thiophene
SMILESCOc1ccc(-c2sc(-c3ccc(OCc4ccccc4)cc3)c(C)c2C)cc1OC
InChIInChI=1S/C27H26O3S/c1-18-19(2)27(22-12-15-24(28-3)25(16-22)29-4)31-26(18)21-10-13-23(14-11-21)30-17-20-8-6-5-7-9-20/h5-16H,17H2,1-4H3
InChIKeyUNEGPAYBMCODEF-UHFFFAOYSA-N
XLogP7.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.57
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)pyrrole
CID 174871893
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
3-(3,4-dimethoxyphenyl)-4-phenylmethoxyaniline
CID 169408827
1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
5-(4-methoxy-3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene-2-carboxylic acid
CID 127038043
3,5-dimethoxy-4-(4-phenylmethoxyphenyl)benzaldehyde
CID 22670004
5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
CID 123516675
CID 123516675
(2-methoxy-5-phenylmethoxyphenyl)boronic acid
CID 75537210
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-[(4-phenylmethoxyphenoxy)methyl]aniline
CID 50888447
6-methoxy-2-(3-methoxy-4-phenylmethoxyphenyl)-1-benzofuran
CID 57332865

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-3,4-dimethyl-5-(4-phenylmethoxyphenyl)thiophene?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3,4-dimethyl-5-(4-phenylmethoxyphenyl)thiophene (CID 139067170) is 2-(3,4-dimethoxyphenyl)-3,4-dimethyl-5-(4-phenylmethoxyphenyl)thiophene.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3,4-dimethyl-5-(4-phenylmethoxyphenyl)thiophene?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3,4-dimethyl-5-(4-phenylmethoxyphenyl)thiophene is COc1ccc(-c2sc(-c3ccc(OCc4ccccc4)cc3)c(C)c2C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3,4-dimethyl-5-(4-phenylmethoxyphenyl)thiophene?
The InChIKey is UNEGPAYBMCODEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26O3S/c1-18-19(2)27(22-12-15-24(28-3)25(16-22)29-4)31-26(18)21-10-13-23(14-11-21)30-17-20-8-6-5-7-9-20/h5-16H,17H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-3,4-dimethyl-5-(4-phenylmethoxyphenyl)thiophene?
2-(3,4-dimethoxyphenyl)-3,4-dimethyl-5-(4-phenylmethoxyphenyl)thiophene has a molecular weight of 430.57 g/mol, XLogP of 7.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-3,4-dimethyl-5-(4-phenylmethoxyphenyl)thiophene is sourced from PubChem (CID 139067170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).