16-chloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione

C16H19ClO5 — CID 22298269

IUPAC16-chloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione
SMILESCC1CCCCCC(=O)c2c(O)cc(O)c(Cl)c2CC(=O)O1
InChIInChI=1S/C16H19ClO5/c1-9-5-3-2-4-6-11(18)15-10(7-14(21)22-9)16(17)13(20)8-12(15)19/h8-9,19-20H,2-7H2,1H3
InChIKeyQRGUSWWNKGQCDZ-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.37
Rot. Bonds

About 16-chloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione

16-chloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione (PubChem CID 22298269) has the molecular formula C16H19ClO5 and a molecular weight of 326.78 g/mol. Its IUPAC name is 16-chloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione.

Molecular Properties

Compound Name16-chloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione
PubChem CID22298269
Molecular FormulaC16H19ClO5
Molecular Weight326.78 g/mol
Exact Mass326.09
IUPAC Name16-chloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione
SMILESCC1CCCCCC(=O)c2c(O)cc(O)c(Cl)c2CC(=O)O1
InChIInChI=1S/C16H19ClO5/c1-9-5-3-2-4-6-11(18)15-10(7-14(21)22-9)16(17)13(20)8-12(15)19/h8-9,19-20H,2-7H2,1H3
InChIKeyQRGUSWWNKGQCDZ-UHFFFAOYSA-N
XLogP3.37
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 16-chloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione with MolForge

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Related Compounds

(5R)-14,16-dichloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione
CID 640150
(5S)-16-chloro-13,15-dihydroxy-5,6-dimethyl-10-methylidene-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione
CID 177439683
(15S)-15-methyl-oxacyclopentadecan-2-one
CID 86278289
(16R)-16-methyl-oxacyclohexadecan-2-one
CID 10978020
(14R)-14-methyl-oxacyclotetradecan-2-one
CID 11009676
(4S)-15-chloro-16,18-dihydroxy-4-methyl-3-azabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8,9,10-tetrone
CID 91572735
(4S,6R,9R)-15-chloro-6,9,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),7,15,17-tetraene-2,12-dione
CID 163049722
(5R)-12,14-dihydroxy-5-[(1S)-1-hydroxyethyl]-4-oxabicyclo[9.4.0]pentadeca-1(11),12,14-triene-3,10-dione
CID 156581560
1-chloro-2,4-dihydroxy-7-methyl-8,14-dihydro-7H-benzo[e][2]benzoxecine-5,13-dione
CID 163050525
(5S)-15-hydroxy-5-methyl-13-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione
CID 162999158
(4S,8R)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-one
CID 67884861
(5S)-5-methyl-13,15-bis(phenylmethoxy)-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione
CID 46187395

Frequently Asked Questions

What is the IUPAC name of 16-chloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione?
The IUPAC name of 16-chloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione (CID 22298269) is 16-chloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione.
What is the SMILES notation for 16-chloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione?
The canonical SMILES for 16-chloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione is CC1CCCCCC(=O)c2c(O)cc(O)c(Cl)c2CC(=O)O1.
What is the InChIKey of 16-chloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione?
The InChIKey is QRGUSWWNKGQCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClO5/c1-9-5-3-2-4-6-11(18)15-10(7-14(21)22-9)16(17)13(20)8-12(15)19/h8-9,19-20H,2-7H2,1H3.
What are the key properties of 16-chloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione?
16-chloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione has a molecular weight of 326.78 g/mol, XLogP of 3.37, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16-chloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione is sourced from PubChem (CID 22298269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).