(4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-indene-5-carboxylate

C19H18O4 — CID 9010500

IUPAC(4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C19H18O4/c1-22-18(20)15-7-5-13(6-8-15)12-23-19(21)17-10-9-14-3-2-4-16(14)11-17/h5-11H,2-4,12H2,1H3
InChIKeyHIHCNBJVMYORMP-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.32
Rot. Bonds4

About (4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-indene-5-carboxylate

(4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 9010500) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is (4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Name(4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-indene-5-carboxylate
PubChem CID9010500
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name(4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C19H18O4/c1-22-18(20)15-7-5-13(6-8-15)12-23-19(21)17-10-9-14-3-2-4-16(14)11-17/h5-11H,2-4,12H2,1H3
InChIKeyHIHCNBJVMYORMP-UHFFFAOYSA-N
XLogP3.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-indene-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methoxycarbonylphenyl)methyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 7623818
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 4-(methoxymethyl)benzoate
CID 7587823
5,6,7,8-tetrahydronaphthalene-2-carbonyloxymethyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 118313504
bis(5,6,7,8-tetrahydronaphthalen-2-ylmethyl) benzene-1,2-dicarboxylate;bis(5,6,7,8-tetrahydronaphthalen-2-ylmethyl) benzene-1,3-dicarboxylate;bis(5,6,7,8-tetrahydronaphthalen-2-ylmethyl) benzene-1,4-dicarboxylate
CID 158419480
(4-methoxycarbonylphenyl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 32904300
(4-methoxycarbonylphenyl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2584345
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
prop-2-enyl 2,3-dihydro-1H-indene-5-carboxylate
CID 58125258
benzyl 2,3,4,5-tetrahydro-1H-2-benzazepine-7-carboxylate
CID 155410093
[2-(2-methoxyethylamino)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7706555
methyl 4-(carbonochloridoyloxymethyl)benzoate
CID 54328192
N-(2,3-dihydro-1H-inden-5-yl)-4-(methoxymethyl)benzamide
CID 42466710

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of (4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-indene-5-carboxylate (CID 9010500) is (4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for (4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for (4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-indene-5-carboxylate is COC(=O)c1ccc(COC(=O)c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of (4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is HIHCNBJVMYORMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-22-18(20)15-7-5-13(6-8-15)12-23-19(21)17-10-9-14-3-2-4-16(14)11-17/h5-11H,2-4,12H2,1H3.
What are the key properties of (4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-indene-5-carboxylate?
(4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 9010500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).