methyl 5-methoxy-6-propoxy-2,3-dihydro-1H-indene-2-carboxylate

C15H20O4 — CID 15893367

IUPACmethyl 5-methoxy-6-propoxy-2,3-dihydro-1H-indene-2-carboxylate
SMILESCCCOc1cc2c(cc1OC)CC(C(=O)OC)C2
InChIInChI=1S/C15H20O4/c1-4-5-19-14-9-11-7-12(15(16)18-3)6-10(11)8-13(14)17-2/h8-9,12H,4-7H2,1-3H3
InChIKeyBQUWIXUPKSNERC-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.37
Rot. Bonds5

About methyl 5-methoxy-6-propoxy-2,3-dihydro-1H-indene-2-carboxylate

methyl 5-methoxy-6-propoxy-2,3-dihydro-1H-indene-2-carboxylate (PubChem CID 15893367) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 5-methoxy-6-propoxy-2,3-dihydro-1H-indene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxy-6-propoxy-2,3-dihydro-1H-indene-2-carboxylate
PubChem CID15893367
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Namemethyl 5-methoxy-6-propoxy-2,3-dihydro-1H-indene-2-carboxylate
SMILESCCCOc1cc2c(cc1OC)CC(C(=O)OC)C2
InChIInChI=1S/C15H20O4/c1-4-5-19-14-9-11-7-12(15(16)18-3)6-10(11)8-13(14)17-2/h8-9,12H,4-7H2,1-3H3
InChIKeyBQUWIXUPKSNERC-UHFFFAOYSA-N
XLogP2.37
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxylic acid
CID 18545807
4-[(2-amino-6-methoxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid
CID 166125815
methyl 2-[2-(3-methoxy-4-propoxyphenyl)ethyl]cyclopropane-1-carboxylate
CID 83938540
1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189
methyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate
CID 86315719
3-O-[2-[[12,19-bis[2-(3-ethoxy-3-oxopropanoyl)oxyethoxy]-6,13,20-trimethoxy-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxy]ethyl] 1-O-ethyl propanedioate
CID 100938271
2-chloro-5-methoxy-4-propoxybenzoic acid
CID 66528858
methyl (2R)-7-fluoro-6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate
CID 67550146
1-(3,4-dimethoxyphenyl)-N-(3,4-dipropoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55573017
dimethyl 4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
CID 3113100
N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 131946358
methyl 6-methoxy-1-(2-methoxy-2-oxoethyl)-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-indene-2-carboxylate
CID 70118184

Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-6-propoxy-2,3-dihydro-1H-indene-2-carboxylate?
The IUPAC name of methyl 5-methoxy-6-propoxy-2,3-dihydro-1H-indene-2-carboxylate (CID 15893367) is methyl 5-methoxy-6-propoxy-2,3-dihydro-1H-indene-2-carboxylate.
What is the SMILES notation for methyl 5-methoxy-6-propoxy-2,3-dihydro-1H-indene-2-carboxylate?
The canonical SMILES for methyl 5-methoxy-6-propoxy-2,3-dihydro-1H-indene-2-carboxylate is CCCOc1cc2c(cc1OC)CC(C(=O)OC)C2.
What is the InChIKey of methyl 5-methoxy-6-propoxy-2,3-dihydro-1H-indene-2-carboxylate?
The InChIKey is BQUWIXUPKSNERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-4-5-19-14-9-11-7-12(15(16)18-3)6-10(11)8-13(14)17-2/h8-9,12H,4-7H2,1-3H3.
What are the key properties of methyl 5-methoxy-6-propoxy-2,3-dihydro-1H-indene-2-carboxylate?
methyl 5-methoxy-6-propoxy-2,3-dihydro-1H-indene-2-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-6-propoxy-2,3-dihydro-1H-indene-2-carboxylate is sourced from PubChem (CID 15893367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).