2-(5-methylfuran-2-yl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17,19,21-decaen-6-ol

C26H18O3 — CID 135216197

IUPAC2-(5-methylfuran-2-yl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17,19,21-decaen-6-ol
SMILESCc1ccc(C2c3c(ccc4ccccc34)Oc3ccc4ccc(O)cc4c32)o1
InChIInChI=1S/C26H18O3/c1-15-6-11-23(28-15)26-24-19-5-3-2-4-16(19)8-12-21(24)29-22-13-9-17-7-10-18(27)14-20(17)25(22)26/h2-14,26-27H,1H3
InChIKeyDJADXCJOOIDOOU-UHFFFAOYSA-N
MW378.43 g/mol
LogP6.89
Rot. Bonds1

About 2-(5-methylfuran-2-yl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17,19,21-decaen-6-ol

2-(5-methylfuran-2-yl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17,19,21-decaen-6-ol (PubChem CID 135216197) has the molecular formula C26H18O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17,19,21-decaen-6-ol.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17,19,21-decaen-6-ol
PubChem CID135216197
Molecular FormulaC26H18O3
Molecular Weight378.43 g/mol
Exact Mass378.13
IUPAC Name2-(5-methylfuran-2-yl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17,19,21-decaen-6-ol
SMILESCc1ccc(C2c3c(ccc4ccccc34)Oc3ccc4ccc(O)cc4c32)o1
InChIInChI=1S/C26H18O3/c1-15-6-11-23(28-15)26-24-19-5-3-2-4-16(19)8-12-21(24)29-22-13-9-17-7-10-18(27)14-20(17)25(22)26/h2-14,26-27H,1H3
InChIKeyDJADXCJOOIDOOU-UHFFFAOYSA-N
XLogP6.89
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-methylfuran-2-yl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17,19,21-decaen-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bismuthanylideneazanide;2-naphthalen-2-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol
CID 158256354
6,20-dimethyl-2-naphthalen-1-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene
CID 176994638
ethane;2-(4-methylphenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-7,19-diol
CID 165028803
2-(4-hydroxyphenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-7,19-diol
CID 145446897
phenanthren-3-ol
CID 73057263
2-(9H-carbazol-1-yl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-7,19-diol
CID 122550432
ethyl (1S)-3-amino-1-(4-fluorophenyl)-9-hydroxy-1H-benzo[f]chromene-2-carboxylate
CID 1025841
12-naphthalen-1-yl-9-phenyl-12H-benzo[a]xanthene
CID 154964818
12-(4-hydroxyphenyl)-12H-benzo[a]xanthene-3,10-diol
CID 129051407
1-(2-chlorophenyl)-2-methylidene-1H-benzo[e][1]benzofuran
CID 132583807
12-(2,4-dimethoxyphenyl)-9-methoxy-12H-benzo[a]xanthene
CID 45258152
ethyl (1R)-3-amino-1-phenyl-1H-benzo[f]chromene-2-carboxylate
CID 917052

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17,19,21-decaen-6-ol?
The IUPAC name of 2-(5-methylfuran-2-yl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17,19,21-decaen-6-ol (CID 135216197) is 2-(5-methylfuran-2-yl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17,19,21-decaen-6-ol.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17,19,21-decaen-6-ol?
The canonical SMILES for 2-(5-methylfuran-2-yl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17,19,21-decaen-6-ol is Cc1ccc(C2c3c(ccc4ccccc34)Oc3ccc4ccc(O)cc4c32)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17,19,21-decaen-6-ol?
The InChIKey is DJADXCJOOIDOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O3/c1-15-6-11-23(28-15)26-24-19-5-3-2-4-16(19)8-12-21(24)29-22-13-9-17-7-10-18(27)14-20(17)25(22)26/h2-14,26-27H,1H3.
What are the key properties of 2-(5-methylfuran-2-yl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17,19,21-decaen-6-ol?
2-(5-methylfuran-2-yl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17,19,21-decaen-6-ol has a molecular weight of 378.43 g/mol, XLogP of 6.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17,19,21-decaen-6-ol is sourced from PubChem (CID 135216197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).