4-methoxyhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3(8),4,6,9,11,13,16,18,20(24),21-dodecaen-17-ol

C25H16O2 — CID 177433855

IUPAC4-methoxyhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3(8),4,6,9,11,13,16,18,20(24),21-dodecaen-17-ol
SMILESCOc1cccc2c1c1c(c3ccccc32)-c2c(O)ccc3cccc-1c23
InChIInChI=1S/C25H16O2/c1-27-20-11-5-9-16-15-7-2-3-8-17(15)23-24(22(16)20)18-10-4-6-14-12-13-19(26)25(23)21(14)18/h2-13,26H,1H3
InChIKeyUYSGPLBMIFRLSF-UHFFFAOYSA-N
MW348.40 g/mol
LogP6.51
Rot. Bonds1

About 4-methoxyhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3(8),4,6,9,11,13,16,18,20(24),21-dodecaen-17-ol

4-methoxyhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3(8),4,6,9,11,13,16,18,20(24),21-dodecaen-17-ol (PubChem CID 177433855) has the molecular formula C25H16O2 and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-methoxyhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3(8),4,6,9,11,13,16,18,20(24),21-dodecaen-17-ol.

Molecular Properties

Compound Name4-methoxyhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3(8),4,6,9,11,13,16,18,20(24),21-dodecaen-17-ol
PubChem CID177433855
Molecular FormulaC25H16O2
Molecular Weight348.40 g/mol
Exact Mass348.12
IUPAC Name4-methoxyhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3(8),4,6,9,11,13,16,18,20(24),21-dodecaen-17-ol
SMILESCOc1cccc2c1c1c(c3ccccc32)-c2c(O)ccc3cccc-1c23
InChIInChI=1S/C25H16O2/c1-27-20-11-5-9-16-15-7-2-3-8-17(15)23-24(22(16)20)18-10-4-6-14-12-13-19(26)25(23)21(14)18/h2-13,26H,1H3
InChIKeyUYSGPLBMIFRLSF-UHFFFAOYSA-N
XLogP6.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.40
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-methoxyhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3(8),4,6,9,11,13,16,18,20(24),21-dodecaen-17-ol with MolForge

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Related Compounds

hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaen-17-ol
CID 132511062
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CID 102346383
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
2-(2-fluorophenyl)benzene-1,3-diol;2-(2-fluorophenyl)-1,3-dimethoxybenzene
CID 159382015
5-[2-[4-[2-[6-hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]ethynyl]-2,5-dimethoxyphenyl]ethynyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 154716275
1-(2-hydroxy-8-phenylmethoxynaphthalen-1-yl)-8-phenylmethoxynaphthalen-2-ol
CID 71528265
1-(3,4,5-trimethoxyphenyl)naphthalen-2-ol
CID 102188168
1-(2,5-dimethoxy-3,4-dimethylphenyl)naphthalen-2-ol
CID 15130773
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Frequently Asked Questions

What is the IUPAC name of 4-methoxyhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3(8),4,6,9,11,13,16,18,20(24),21-dodecaen-17-ol?
The IUPAC name of 4-methoxyhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3(8),4,6,9,11,13,16,18,20(24),21-dodecaen-17-ol (CID 177433855) is 4-methoxyhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3(8),4,6,9,11,13,16,18,20(24),21-dodecaen-17-ol.
What is the SMILES notation for 4-methoxyhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3(8),4,6,9,11,13,16,18,20(24),21-dodecaen-17-ol?
The canonical SMILES for 4-methoxyhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3(8),4,6,9,11,13,16,18,20(24),21-dodecaen-17-ol is COc1cccc2c1c1c(c3ccccc32)-c2c(O)ccc3cccc-1c23.
What is the InChIKey of 4-methoxyhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3(8),4,6,9,11,13,16,18,20(24),21-dodecaen-17-ol?
The InChIKey is UYSGPLBMIFRLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16O2/c1-27-20-11-5-9-16-15-7-2-3-8-17(15)23-24(22(16)20)18-10-4-6-14-12-13-19(26)25(23)21(14)18/h2-13,26H,1H3.
What are the key properties of 4-methoxyhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3(8),4,6,9,11,13,16,18,20(24),21-dodecaen-17-ol?
4-methoxyhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3(8),4,6,9,11,13,16,18,20(24),21-dodecaen-17-ol has a molecular weight of 348.40 g/mol, XLogP of 6.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxyhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3(8),4,6,9,11,13,16,18,20(24),21-dodecaen-17-ol is sourced from PubChem (CID 177433855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).