dimethyl 9,10-dihydroanthracene-1,2-dicarboxylate

C18H16O4 — CID 102522835

IUPACdimethyl 9,10-dihydroanthracene-1,2-dicarboxylate
SMILESCOC(=O)c1ccc2c(c1C(=O)OC)Cc1ccccc1C2
InChIInChI=1S/C18H16O4/c1-21-17(19)14-8-7-13-9-11-5-3-4-6-12(11)10-15(13)16(14)18(20)22-2/h3-8H,9-10H2,1-2H3
InChIKeyPJULENYPELMPAZ-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.75
Rot. Bonds2

About dimethyl 9,10-dihydroanthracene-1,2-dicarboxylate

dimethyl 9,10-dihydroanthracene-1,2-dicarboxylate (PubChem CID 102522835) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is dimethyl 9,10-dihydroanthracene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 9,10-dihydroanthracene-1,2-dicarboxylate
PubChem CID102522835
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Namedimethyl 9,10-dihydroanthracene-1,2-dicarboxylate
SMILESCOC(=O)c1ccc2c(c1C(=O)OC)Cc1ccccc1C2
InChIInChI=1S/C18H16O4/c1-21-17(19)14-8-7-13-9-11-5-3-4-6-12(11)10-15(13)16(14)18(20)22-2/h3-8H,9-10H2,1-2H3
InChIKeyPJULENYPELMPAZ-UHFFFAOYSA-N
XLogP2.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10358141
trimethyl 4-benzoylbenzene-1,2,3-tricarboxylate
CID 139914532
dimethyl 2-benzoyl-3,4-dihydro-1H-isoquinoline-7,8-dicarboxylate
CID 12629574
methyl 9H-xanthene-1-carboxylate
CID 66809757
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 11H-benzo[c][1]benzazepine-1-carboxylate
CID 46889923
dimethyl 3-aminobenzene-1,2-dicarboxylate
CID 13399384
methyl 1-(2-chloroethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate
CID 19797491
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
9,10-dihydroanthracene-1-carboxylic acid
CID 22643690
dimethyl anthracene-9,10-dicarboxylate
CID 139057809
methyl 2-phosphanylbenzoate
CID 156736008

Frequently Asked Questions

What is the IUPAC name of dimethyl 9,10-dihydroanthracene-1,2-dicarboxylate?
The IUPAC name of dimethyl 9,10-dihydroanthracene-1,2-dicarboxylate (CID 102522835) is dimethyl 9,10-dihydroanthracene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 9,10-dihydroanthracene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 9,10-dihydroanthracene-1,2-dicarboxylate is COC(=O)c1ccc2c(c1C(=O)OC)Cc1ccccc1C2.
What is the InChIKey of dimethyl 9,10-dihydroanthracene-1,2-dicarboxylate?
The InChIKey is PJULENYPELMPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-21-17(19)14-8-7-13-9-11-5-3-4-6-12(11)10-15(13)16(14)18(20)22-2/h3-8H,9-10H2,1-2H3.
What are the key properties of dimethyl 9,10-dihydroanthracene-1,2-dicarboxylate?
dimethyl 9,10-dihydroanthracene-1,2-dicarboxylate has a molecular weight of 296.32 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 9,10-dihydroanthracene-1,2-dicarboxylate is sourced from PubChem (CID 102522835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).