2-methoxy-5-[(Z)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]phenol

C18H16O3S — CID 25131509

IUPAC2-methoxy-5-[(Z)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]phenol
SMILESCOc1ccc(/C=C\c2cc(OC)c3ccsc3c2)cc1O
InChIInChI=1S/C18H16O3S/c1-20-16-6-5-12(9-15(16)19)3-4-13-10-17(21-2)14-7-8-22-18(14)11-13/h3-11,19H,1-2H3/b4-3-
InChIKeyDPROZTOPRHLDGW-ARJAWSKDSA-N
MW312.39 g/mol
LogP4.79
Rot. Bonds4

About 2-methoxy-5-[(Z)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]phenol

2-methoxy-5-[(Z)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]phenol (PubChem CID 25131509) has the molecular formula C18H16O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-methoxy-5-[(Z)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[(Z)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]phenol
PubChem CID25131509
Molecular FormulaC18H16O3S
Molecular Weight312.39 g/mol
Exact Mass312.08
IUPAC Name2-methoxy-5-[(Z)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]phenol
SMILESCOc1ccc(/C=C\c2cc(OC)c3ccsc3c2)cc1O
InChIInChI=1S/C18H16O3S/c1-20-16-6-5-12(9-15(16)19)3-4-13-10-17(21-2)14-7-8-22-18(14)11-13/h3-11,19H,1-2H3/b4-3-
InChIKeyDPROZTOPRHLDGW-ARJAWSKDSA-N
XLogP4.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(Z)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]phenol?
The IUPAC name of 2-methoxy-5-[(Z)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]phenol (CID 25131509) is 2-methoxy-5-[(Z)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]phenol.
What is the SMILES notation for 2-methoxy-5-[(Z)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]phenol?
The canonical SMILES for 2-methoxy-5-[(Z)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]phenol is COc1ccc(/C=C\c2cc(OC)c3ccsc3c2)cc1O.
What is the InChIKey of 2-methoxy-5-[(Z)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]phenol?
The InChIKey is DPROZTOPRHLDGW-ARJAWSKDSA-N. The full InChI is InChI=1S/C18H16O3S/c1-20-16-6-5-12(9-15(16)19)3-4-13-10-17(21-2)14-7-8-22-18(14)11-13/h3-11,19H,1-2H3/b4-3-.
What are the key properties of 2-methoxy-5-[(Z)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]phenol?
2-methoxy-5-[(Z)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]phenol has a molecular weight of 312.39 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(Z)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]phenol is sourced from PubChem (CID 25131509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).