5-methoxypentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene

C25H22O — CID 16658388

IUPAC5-methoxypentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene
SMILESCOc1ccc2ccc3c4ccc(c3c2c1)CCc1ccc(cc1)CC4
InChIInChI=1S/C25H22O/c1-26-22-14-12-20-13-15-23-19-8-6-17-2-4-18(5-3-17)7-9-21(11-10-19)25(23)24(20)16-22/h2-5,10-16H,6-9H2,1H3
InChIKeyJKIMLQNCUHBNPX-UHFFFAOYSA-N
MW338.45 g/mol
LogP5.89
Rot. Bonds1

About 5-methoxypentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene

5-methoxypentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene (PubChem CID 16658388) has the molecular formula C25H22O and a molecular weight of 338.45 g/mol. Its IUPAC name is 5-methoxypentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene.

Molecular Properties

Compound Name5-methoxypentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene
PubChem CID16658388
Molecular FormulaC25H22O
Molecular Weight338.45 g/mol
Exact Mass338.17
IUPAC Name5-methoxypentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene
SMILESCOc1ccc2ccc3c4ccc(c3c2c1)CCc1ccc(cc1)CC4
InChIInChI=1S/C25H22O/c1-26-22-14-12-20-13-15-23-19-8-6-17-2-4-18(5-3-17)7-9-21(11-10-19)25(23)24(20)16-22/h2-5,10-16H,6-9H2,1H3
InChIKeyJKIMLQNCUHBNPX-UHFFFAOYSA-N
XLogP5.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 14828207
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CID 11488347
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
(4-methoxyphenyl)-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)iodanium
CID 88910394
3,10-dimethoxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-1(14),2,4,6,8,10,12-heptaene
CID 101462023
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CID 16658385
15-ethylsulfanyl-2-methoxy-16,17-dihydro-15H-cyclopenta[a]phenanthrene
CID 15285058
(3Z)-5-methoxy-3-(6-methoxy-2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
CID 125266195
7-methoxy-1-(7-methoxy-2-methylnaphthalen-1-yl)-2-methylnaphthalene
CID 20715432
13-hydroxy-5,21-dimethoxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene
CID 90965651
6,25-dimethoxyheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4(9),5,7,10,13,16,19,21(30),22,24(29),25,27-pentadecaene
CID 122386604
5,12-dimethoxytricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
CID 15073818

Frequently Asked Questions

What is the IUPAC name of 5-methoxypentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene?
The IUPAC name of 5-methoxypentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene (CID 16658388) is 5-methoxypentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene.
What is the SMILES notation for 5-methoxypentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene?
The canonical SMILES for 5-methoxypentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene is COc1ccc2ccc3c4ccc(c3c2c1)CCc1ccc(cc1)CC4.
What is the InChIKey of 5-methoxypentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene?
The InChIKey is JKIMLQNCUHBNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O/c1-26-22-14-12-20-13-15-23-19-8-6-17-2-4-18(5-3-17)7-9-21(11-10-19)25(23)24(20)16-22/h2-5,10-16H,6-9H2,1H3.
What are the key properties of 5-methoxypentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene?
5-methoxypentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene has a molecular weight of 338.45 g/mol, XLogP of 5.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxypentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene is sourced from PubChem (CID 16658388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).