methyl 2-hydroxy-6,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate

C19H20O6 — CID 89464599

IUPACmethyl 2-hydroxy-6,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate
SMILESCOC(=O)c1cc2c(cc1O)CCc1c-2cc(OC)c(OC)c1OC
InChIInChI=1S/C19H20O6/c1-22-16-9-13-11(17(23-2)18(16)24-3)6-5-10-7-15(20)14(8-12(10)13)19(21)25-4/h7-9,20H,5-6H2,1-4H3
InChIKeyIQSSLXDQTPBVFQ-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.97
Rot. Bonds4

About methyl 2-hydroxy-6,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate

methyl 2-hydroxy-6,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate (PubChem CID 89464599) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is methyl 2-hydroxy-6,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-hydroxy-6,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate
PubChem CID89464599
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Namemethyl 2-hydroxy-6,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate
SMILESCOC(=O)c1cc2c(cc1O)CCc1c-2cc(OC)c(OC)c1OC
InChIInChI=1S/C19H20O6/c1-22-16-9-13-11(17(23-2)18(16)24-3)6-5-10-7-15(20)14(8-12(10)13)19(21)25-4/h7-9,20H,5-6H2,1-4H3
InChIKeyIQSSLXDQTPBVFQ-UHFFFAOYSA-N
XLogP2.97
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-6,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate?
The IUPAC name of methyl 2-hydroxy-6,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate (CID 89464599) is methyl 2-hydroxy-6,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate.
What is the SMILES notation for methyl 2-hydroxy-6,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate?
The canonical SMILES for methyl 2-hydroxy-6,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate is COC(=O)c1cc2c(cc1O)CCc1c-2cc(OC)c(OC)c1OC.
What is the InChIKey of methyl 2-hydroxy-6,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate?
The InChIKey is IQSSLXDQTPBVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O6/c1-22-16-9-13-11(17(23-2)18(16)24-3)6-5-10-7-15(20)14(8-12(10)13)19(21)25-4/h7-9,20H,5-6H2,1-4H3.
What are the key properties of methyl 2-hydroxy-6,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate?
methyl 2-hydroxy-6,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate has a molecular weight of 344.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-6,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate is sourced from PubChem (CID 89464599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).