19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-ol

C18H10O2 — CID 164568916

IUPAC19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-ol
SMILESOc1cccc2c3cccc4oc5cccc(c12)c5c43
InChIInChI=1S/C18H10O2/c19-13-7-1-4-10-11-5-2-8-14-17(11)18-12(16(10)13)6-3-9-15(18)20-14/h1-9,19H
InChIKeyRYFWOTZZYJZQRJ-UHFFFAOYSA-N
MW258.28 g/mol
LogP5.04
Rot. Bonds

About 19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-ol

19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-ol (PubChem CID 164568916) has the molecular formula C18H10O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-ol.

Molecular Properties

Compound Name19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-ol
PubChem CID164568916
Molecular FormulaC18H10O2
Molecular Weight258.28 g/mol
Exact Mass258.07
IUPAC Name19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-ol
SMILESOc1cccc2c3cccc4oc5cccc(c12)c5c43
InChIInChI=1S/C18H10O2/c19-13-7-1-4-10-11-5-2-8-14-17(11)18-12(16(10)13)6-3-9-15(18)20-14/h1-9,19H
InChIKeyRYFWOTZZYJZQRJ-UHFFFAOYSA-N
XLogP5.04
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.28
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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anthracene-1,5,9,10-tetrol
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6,7-bis(ethenyl)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene
CID 166096190
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CID 70367536
1-hydroxy-6-methylxanthen-9-one
CID 13031893
hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1(14),2(11),3,5,7,9,12,15(20),16,18,21,23,25-tridecaen-19-ol
CID 126662128
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
benzene-1,2-diol;perylene
CID 175494116
6-(3-phenylphenyl)dibenzofuran-1-ol
CID 155038866
7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-ol
CID 156890421

Frequently Asked Questions

What is the IUPAC name of 19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-ol?
The IUPAC name of 19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-ol (CID 164568916) is 19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-ol.
What is the SMILES notation for 19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-ol?
The canonical SMILES for 19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-ol is Oc1cccc2c3cccc4oc5cccc(c12)c5c43.
What is the InChIKey of 19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-ol?
The InChIKey is RYFWOTZZYJZQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O2/c19-13-7-1-4-10-11-5-2-8-14-17(11)18-12(16(10)13)6-3-9-15(18)20-14/h1-9,19H.
What are the key properties of 19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-ol?
19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-ol has a molecular weight of 258.28 g/mol, XLogP of 5.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-ol is sourced from PubChem (CID 164568916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).