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

C19H20O5 — CID 13031019

IUPACmethyl 2,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate
SMILESCOC(=O)c1cc2c(cc1OC)CCc1c-2ccc(OC)c1OC
InChIInChI=1S/C19H20O5/c1-21-16-8-7-12-13(18(16)23-3)6-5-11-9-17(22-2)15(10-14(11)12)19(20)24-4/h7-10H,5-6H2,1-4H3
InChIKeyXCAPZVLHIWLQHP-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.26
Rot. Bonds4

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

methyl 2,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate (PubChem CID 13031019) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is methyl 2,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate
PubChem CID13031019
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Namemethyl 2,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate
SMILESCOC(=O)c1cc2c(cc1OC)CCc1c-2ccc(OC)c1OC
InChIInChI=1S/C19H20O5/c1-21-16-8-7-12-13(18(16)23-3)6-5-11-9-17(22-2)15(10-14(11)12)19(20)24-4/h7-10H,5-6H2,1-4H3
InChIKeyXCAPZVLHIWLQHP-UHFFFAOYSA-N
XLogP3.26
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-hydroxy-6,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate
CID 89464599
(6,7-dimethoxy-3-methoxycarbonyl-9,10-dihydrophenanthren-2-yl)oxythallium
CID 144556859
methyl 2-hydroxy-6,7-dimethoxy-9,10-dihydrophenanthrene-3-carboxylate
CID 89464855
dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate
CID 16637829
methyl 2-amino-5-(2,3,4-trimethoxyphenyl)benzoate
CID 82572924
2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565
methyl 6-methoxy-1,4-dihydroquinoline-7-carboxylate
CID 141187730
methyl N-(5,6-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)carbamate
CID 19352269
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339
methyl 4,5-diiodo-2-methoxybenzoate
CID 130877100
[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenyl] acetate
CID 89420952
methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate
CID 14750800

Frequently Asked Questions

What is the IUPAC name of methyl 2,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate?
The IUPAC name of methyl 2,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate (CID 13031019) is methyl 2,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate.
What is the SMILES notation for methyl 2,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate?
The canonical SMILES for methyl 2,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate is COC(=O)c1cc2c(cc1OC)CCc1c-2ccc(OC)c1OC.
What is the InChIKey of methyl 2,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate?
The InChIKey is XCAPZVLHIWLQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-21-16-8-7-12-13(18(16)23-3)6-5-11-9-17(22-2)15(10-14(11)12)19(20)24-4/h7-10H,5-6H2,1-4H3.
What are the key properties of methyl 2,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate?
methyl 2,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate has a molecular weight of 328.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate is sourced from PubChem (CID 13031019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).