1-[2-[4-methoxy-2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]ethynyl]cyclohexan-1-ol

C24H28O4 — CID 53301528

IUPAC1-[2-[4-methoxy-2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]ethynyl]cyclohexan-1-ol
SMILESCOc1ccc(-c2oc3c(c2C#CC2(O)CCCCC2)C(OC)CCC3)cc1
InChIInChI=1S/C24H28O4/c1-26-18-11-9-17(10-12-18)23-19(13-16-24(25)14-4-3-5-15-24)22-20(27-2)7-6-8-21(22)28-23/h9-12,20,25H,3-8,14-15H2,1-2H3
InChIKeyOZKFDXMTANSFQH-UHFFFAOYSA-N
MW380.48 g/mol
LogP5.03
Rot. Bonds3

About 1-[2-[4-methoxy-2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]ethynyl]cyclohexan-1-ol

1-[2-[4-methoxy-2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]ethynyl]cyclohexan-1-ol (PubChem CID 53301528) has the molecular formula C24H28O4 and a molecular weight of 380.48 g/mol. Its IUPAC name is 1-[2-[4-methoxy-2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]ethynyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-[4-methoxy-2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]ethynyl]cyclohexan-1-ol
PubChem CID53301528
Molecular FormulaC24H28O4
Molecular Weight380.48 g/mol
Exact Mass380.20
IUPAC Name1-[2-[4-methoxy-2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]ethynyl]cyclohexan-1-ol
SMILESCOc1ccc(-c2oc3c(c2C#CC2(O)CCCCC2)C(OC)CCC3)cc1
InChIInChI=1S/C24H28O4/c1-26-18-11-9-17(10-12-18)23-19(13-16-24(25)14-4-3-5-15-24)22-20(27-2)7-6-8-21(22)28-23/h9-12,20,25H,3-8,14-15H2,1-2H3
InChIKeyOZKFDXMTANSFQH-UHFFFAOYSA-N
XLogP5.03
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.48
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-[4-methoxy-2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]ethynyl]cyclohexan-1-ol with MolForge

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Related Compounds

7-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethyl-2H-chromen-5-ol
CID 641378
4H-1-Benzopyran-4-one, 3-(4-hydroxyphenyl)-7-(1-methylethoxy)-
CID 10469827
Licocoumarone
CID 503731
4-((2E)-3,7-Dimethyl-2,6-octadien-1-yl)-5-(6-hydroxy-2-benzofuranyl)-1,3-benzenediol
CID 5281297
Glabrocoumarone B
CID 15233562
Gancaonin I
CID 480777
Anhydrovariabilin
CID 624785
Anhydroglycinol
CID 442667
Moracin I
CID 155976
Glyurallin A
CID 15818598
Erycristagallin
CID 10362969
2',4'-Dihydroxy-2''-(1-hydroxy-1-methylethyl)dihydrofuro(2,3-h)flavanone
CID 10291777

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-methoxy-2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]ethynyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-[4-methoxy-2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]ethynyl]cyclohexan-1-ol (CID 53301528) is 1-[2-[4-methoxy-2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]ethynyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-[4-methoxy-2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]ethynyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-[4-methoxy-2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]ethynyl]cyclohexan-1-ol is COc1ccc(-c2oc3c(c2C#CC2(O)CCCCC2)C(OC)CCC3)cc1.
What is the InChIKey of 1-[2-[4-methoxy-2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]ethynyl]cyclohexan-1-ol?
The InChIKey is OZKFDXMTANSFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O4/c1-26-18-11-9-17(10-12-18)23-19(13-16-24(25)14-4-3-5-15-24)22-20(27-2)7-6-8-21(22)28-23/h9-12,20,25H,3-8,14-15H2,1-2H3.
What are the key properties of 1-[2-[4-methoxy-2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]ethynyl]cyclohexan-1-ol?
1-[2-[4-methoxy-2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]ethynyl]cyclohexan-1-ol has a molecular weight of 380.48 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-methoxy-2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]ethynyl]cyclohexan-1-ol is sourced from PubChem (CID 53301528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).