2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaen-4-ylmethanol

C19H22O5 — CID 10426763

IUPAC2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaen-4-ylmethanol
SMILESOCC1COc2ccccc2OCCCOc2ccccc2OC1
InChIInChI=1S/C19H22O5/c20-12-15-13-23-18-8-3-1-6-16(18)21-10-5-11-22-17-7-2-4-9-19(17)24-14-15/h1-4,6-9,15,20H,5,10-14H2
InChIKeyDTAAAGZWLJUIMI-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.91
Rot. Bonds1

About 2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaen-4-ylmethanol

2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaen-4-ylmethanol (PubChem CID 10426763) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaen-4-ylmethanol.

Molecular Properties

Compound Name2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaen-4-ylmethanol
PubChem CID10426763
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaen-4-ylmethanol
SMILESOCC1COc2ccccc2OCCCOc2ccccc2OC1
InChIInChI=1S/C19H22O5/c20-12-15-13-23-18-8-3-1-6-16(18)21-10-5-11-22-17-7-2-4-9-19(17)24-14-15/h1-4,6-9,15,20H,5,10-14H2
InChIKeyDTAAAGZWLJUIMI-UHFFFAOYSA-N
XLogP2.91
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene
CID 3486729
4-methyl-2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene
CID 11723155
benzene;3,4-dihydro-2H-1,5-benzodioxepine;ethane
CID 159794832
2,3,4,5,6,7-hexahydro-1,8-benzodioxecine
CID 13197605
2,5,8,11,14,18-hexaoxabicyclo[17.4.0]tricosa-1(23),19,21-triene
CID 22411101
3-(2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)propanoic acid
CID 10597224
2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-triene
CID 13401373
5-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine
CID 112706602
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 97121021
2-[3-(hydroxymethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl]acetic acid
CID 19857302
[(3S)-5-methoxy-3,4-dihydro-2H-chromen-3-yl]methanol
CID 71713222
[(3R)-5-methoxy-3,4-dihydro-2H-chromen-3-yl]methanol
CID 130660382

Frequently Asked Questions

What is the IUPAC name of 2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaen-4-ylmethanol?
The IUPAC name of 2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaen-4-ylmethanol (CID 10426763) is 2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaen-4-ylmethanol.
What is the SMILES notation for 2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaen-4-ylmethanol?
The canonical SMILES for 2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaen-4-ylmethanol is OCC1COc2ccccc2OCCCOc2ccccc2OC1.
What is the InChIKey of 2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaen-4-ylmethanol?
The InChIKey is DTAAAGZWLJUIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c20-12-15-13-23-18-8-3-1-6-16(18)21-10-5-11-22-17-7-2-4-9-19(17)24-14-15/h1-4,6-9,15,20H,5,10-14H2.
What are the key properties of 2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaen-4-ylmethanol?
2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaen-4-ylmethanol has a molecular weight of 330.38 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaen-4-ylmethanol is sourced from PubChem (CID 10426763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).