1H-inden-1-yl 2,4-dimethoxy-6-methylbenzoate

C19H18O4 — CID 174707762

IUPAC1H-inden-1-yl 2,4-dimethoxy-6-methylbenzoate
SMILESCOc1cc(C)c(C(=O)OC2C=Cc3ccccc32)c(OC)c1
InChIInChI=1S/C19H18O4/c1-12-10-14(21-2)11-17(22-3)18(12)19(20)23-16-9-8-13-6-4-5-7-15(13)16/h4-11,16H,1-3H3
InChIKeyKDFGWVSKVHQRPD-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.94
Rot. Bonds4

About 1H-inden-1-yl 2,4-dimethoxy-6-methylbenzoate

1H-inden-1-yl 2,4-dimethoxy-6-methylbenzoate (PubChem CID 174707762) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1H-inden-1-yl 2,4-dimethoxy-6-methylbenzoate.

Molecular Properties

Compound Name1H-inden-1-yl 2,4-dimethoxy-6-methylbenzoate
PubChem CID174707762
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name1H-inden-1-yl 2,4-dimethoxy-6-methylbenzoate
SMILESCOc1cc(C)c(C(=O)OC2C=Cc3ccccc32)c(OC)c1
InChIInChI=1S/C19H18O4/c1-12-10-14(21-2)11-17(22-3)18(12)19(20)23-16-9-8-13-6-4-5-7-15(13)16/h4-11,16H,1-3H3
InChIKeyKDFGWVSKVHQRPD-UHFFFAOYSA-N
XLogP3.94
TPSA44.76 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 ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2,4-dimethoxy-6-methylphenyl)methanone
CID 54389353
2-(2,4-dimethoxy-6-methylphenyl)prop-2-enoic acid
CID 116843073
1H-inden-1-yl hexanoate
CID 19688742
1-(2,4-dimethoxy-6-methylphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 71963848
dichlorozirconium;1-(2,4-dimethoxyphenyl)-1H-indene
CID 174442019
1H-inden-1-yl formate
CID 54514146
[phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl] 2,4,6-trimethoxybenzoate
CID 141016379
[2-(2,6-dimethoxy-3,5-dimethylbenzoyl)phenyl]-(2,4,6-trimethoxyphenyl)methanone
CID 141015987
1-(2-methoxyphenyl)-1H-indene
CID 15345370
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106679968
[3-methoxy-2-(4-methoxybenzoyl)-5-methylphenyl] acetate
CID 68984989
(3-methoxy-5-methyl-4-phenoxycarbonylphenyl)boronic acid
CID 133061802

Frequently Asked Questions

What is the IUPAC name of 1H-inden-1-yl 2,4-dimethoxy-6-methylbenzoate?
The IUPAC name of 1H-inden-1-yl 2,4-dimethoxy-6-methylbenzoate (CID 174707762) is 1H-inden-1-yl 2,4-dimethoxy-6-methylbenzoate.
What is the SMILES notation for 1H-inden-1-yl 2,4-dimethoxy-6-methylbenzoate?
The canonical SMILES for 1H-inden-1-yl 2,4-dimethoxy-6-methylbenzoate is COc1cc(C)c(C(=O)OC2C=Cc3ccccc32)c(OC)c1.
What is the InChIKey of 1H-inden-1-yl 2,4-dimethoxy-6-methylbenzoate?
The InChIKey is KDFGWVSKVHQRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-12-10-14(21-2)11-17(22-3)18(12)19(20)23-16-9-8-13-6-4-5-7-15(13)16/h4-11,16H,1-3H3.
What are the key properties of 1H-inden-1-yl 2,4-dimethoxy-6-methylbenzoate?
1H-inden-1-yl 2,4-dimethoxy-6-methylbenzoate has a molecular weight of 310.35 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-1-yl 2,4-dimethoxy-6-methylbenzoate is sourced from PubChem (CID 174707762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).