(2-methoxy-4-methoxycarbonylphenyl) 9H-xanthene-9-carboxylate

C23H18O6 — CID 8840283

IUPAC(2-methoxy-4-methoxycarbonylphenyl) 9H-xanthene-9-carboxylate
SMILESCOC(=O)c1ccc(OC(=O)C2c3ccccc3Oc3ccccc32)c(OC)c1
InChIInChI=1S/C23H18O6/c1-26-20-13-14(22(24)27-2)11-12-19(20)29-23(25)21-15-7-3-5-9-17(15)28-18-10-6-4-8-16(18)21/h3-13,21H,1-2H3
InChIKeyUEPKQZKYJJCITE-UHFFFAOYSA-N
MW390.39 g/mol
LogP4.32
Rot. Bonds4

About (2-methoxy-4-methoxycarbonylphenyl) 9H-xanthene-9-carboxylate

(2-methoxy-4-methoxycarbonylphenyl) 9H-xanthene-9-carboxylate (PubChem CID 8840283) has the molecular formula C23H18O6 and a molecular weight of 390.39 g/mol. Its IUPAC name is (2-methoxy-4-methoxycarbonylphenyl) 9H-xanthene-9-carboxylate.

Molecular Properties

Compound Name(2-methoxy-4-methoxycarbonylphenyl) 9H-xanthene-9-carboxylate
PubChem CID8840283
Molecular FormulaC23H18O6
Molecular Weight390.39 g/mol
Exact Mass390.11
IUPAC Name(2-methoxy-4-methoxycarbonylphenyl) 9H-xanthene-9-carboxylate
SMILESCOC(=O)c1ccc(OC(=O)C2c3ccccc3Oc3ccccc32)c(OC)c1
InChIInChI=1S/C23H18O6/c1-26-20-13-14(22(24)27-2)11-12-19(20)29-23(25)21-15-7-3-5-9-17(15)28-18-10-6-4-8-16(18)21/h3-13,21H,1-2H3
InChIKeyUEPKQZKYJJCITE-UHFFFAOYSA-N
XLogP4.32
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxy-4-methoxycarbonylphenyl) (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 8840323
2,7-bis(methoxycarbonyl)-9H-xanthene-9-carboxylic acid
CID 23283091
naphthalen-1-yl 9H-xanthene-9-carboxylate
CID 7913801
methyl 3-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]benzoate
CID 17175462
(2-methoxy-4-methoxycarbonylphenyl) furan-3-carboxylate
CID 31849790
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 15167932
ethane;methyl 4-(2,2-difluorocyclopropyl)oxy-3-methoxybenzoate
CID 144796424
(4-tert-butylphenyl) 9H-xanthene-9-carboxylate
CID 2801648
ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate
CID 144796199
methyl 3-methoxy-4-(4-methylsulfanylbenzoyl)oxybenzoate
CID 18189723
(2-methoxy-4-methoxycarbonylphenyl) 1-benzothiophene-2-carboxylate
CID 27845824

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-methoxycarbonylphenyl) 9H-xanthene-9-carboxylate?
The IUPAC name of (2-methoxy-4-methoxycarbonylphenyl) 9H-xanthene-9-carboxylate (CID 8840283) is (2-methoxy-4-methoxycarbonylphenyl) 9H-xanthene-9-carboxylate.
What is the SMILES notation for (2-methoxy-4-methoxycarbonylphenyl) 9H-xanthene-9-carboxylate?
The canonical SMILES for (2-methoxy-4-methoxycarbonylphenyl) 9H-xanthene-9-carboxylate is COC(=O)c1ccc(OC(=O)C2c3ccccc3Oc3ccccc32)c(OC)c1.
What is the InChIKey of (2-methoxy-4-methoxycarbonylphenyl) 9H-xanthene-9-carboxylate?
The InChIKey is UEPKQZKYJJCITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O6/c1-26-20-13-14(22(24)27-2)11-12-19(20)29-23(25)21-15-7-3-5-9-17(15)28-18-10-6-4-8-16(18)21/h3-13,21H,1-2H3.
What are the key properties of (2-methoxy-4-methoxycarbonylphenyl) 9H-xanthene-9-carboxylate?
(2-methoxy-4-methoxycarbonylphenyl) 9H-xanthene-9-carboxylate has a molecular weight of 390.39 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-methoxycarbonylphenyl) 9H-xanthene-9-carboxylate is sourced from PubChem (CID 8840283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).