2,6-dimethoxy-9H-xanthene-9-carboxylic acid

C16H14O5 — CID 23283018

IUPAC2,6-dimethoxy-9H-xanthene-9-carboxylic acid
SMILESCOc1ccc2c(c1)Oc1ccc(OC)cc1C2C(=O)O
InChIInChI=1S/C16H14O5/c1-19-9-4-6-13-12(7-9)15(16(17)18)11-5-3-10(20-2)8-14(11)21-13/h3-8,15H,1-2H3,(H,17,18)
InChIKeyQKOAZDXIXHHYCC-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.03
Rot. Bonds3

About 2,6-dimethoxy-9H-xanthene-9-carboxylic acid

2,6-dimethoxy-9H-xanthene-9-carboxylic acid (PubChem CID 23283018) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 2,6-dimethoxy-9H-xanthene-9-carboxylic acid.

Molecular Properties

Compound Name2,6-dimethoxy-9H-xanthene-9-carboxylic acid
PubChem CID23283018
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name2,6-dimethoxy-9H-xanthene-9-carboxylic acid
SMILESCOc1ccc2c(c1)Oc1ccc(OC)cc1C2C(=O)O
InChIInChI=1S/C16H14O5/c1-19-9-4-6-13-12(7-9)15(16(17)18)11-5-3-10(20-2)8-14(11)21-13/h3-8,15H,1-2H3,(H,17,18)
InChIKeyQKOAZDXIXHHYCC-UHFFFAOYSA-N
XLogP3.03
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(11S)-2-methoxy-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxylic acid
CID 129362599
2,7-bis(methoxycarbonyl)-9H-xanthene-9-carboxylic acid
CID 23283091
4-(4-fluorophenyl)-4-hydroxy-3-[(9S)-2-methoxy-9H-xanthen-9-yl]but-3-en-2-one
CID 7304355
3,6-dimethoxy-9-propan-2-yl-9H-xanthene
CID 71740305
3-hydroxy-9H-xanthene-9-carboxylic acid
CID 22117056
3-chloro-6-methoxy-9H-xanthen-9-ol
CID 21482902
N-(3-methoxyphenyl)-9H-xanthene-9-carboxamide
CID 669610
(2-methoxy-9H-xanthen-9-yl)-triphenylphosphanium
CID 102414096
3-methoxy-6-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-ol
CID 86019296
2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 129361652
7-methoxy-2-methylidene-3,4-dihydrochromen-4-ol
CID 177393956
(2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid
CID 10686807

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-9H-xanthene-9-carboxylic acid?
The IUPAC name of 2,6-dimethoxy-9H-xanthene-9-carboxylic acid (CID 23283018) is 2,6-dimethoxy-9H-xanthene-9-carboxylic acid.
What is the SMILES notation for 2,6-dimethoxy-9H-xanthene-9-carboxylic acid?
The canonical SMILES for 2,6-dimethoxy-9H-xanthene-9-carboxylic acid is COc1ccc2c(c1)Oc1ccc(OC)cc1C2C(=O)O.
What is the InChIKey of 2,6-dimethoxy-9H-xanthene-9-carboxylic acid?
The InChIKey is QKOAZDXIXHHYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-19-9-4-6-13-12(7-9)15(16(17)18)11-5-3-10(20-2)8-14(11)21-13/h3-8,15H,1-2H3,(H,17,18).
What are the key properties of 2,6-dimethoxy-9H-xanthene-9-carboxylic acid?
2,6-dimethoxy-9H-xanthene-9-carboxylic acid has a molecular weight of 286.28 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-9H-xanthene-9-carboxylic acid is sourced from PubChem (CID 23283018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).