(2,5-dimethyl-1,3-dihydroinden-2-yl) formate

C12H14O2 — CID 164851564

IUPAC(2,5-dimethyl-1,3-dihydroinden-2-yl) formate
SMILESCc1ccc2c(c1)CC(C)(OC=O)C2
InChIInChI=1S/C12H14O2/c1-9-3-4-10-6-12(2,14-8-13)7-11(10)5-9/h3-5,8H,6-7H2,1-2H3
InChIKeyKJWKQRGOTBBNAA-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.03
Rot. Bonds2

About (2,5-dimethyl-1,3-dihydroinden-2-yl) formate

(2,5-dimethyl-1,3-dihydroinden-2-yl) formate (PubChem CID 164851564) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2,5-dimethyl-1,3-dihydroinden-2-yl) formate.

Molecular Properties

Compound Name(2,5-dimethyl-1,3-dihydroinden-2-yl) formate
PubChem CID164851564
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(2,5-dimethyl-1,3-dihydroinden-2-yl) formate
SMILESCc1ccc2c(c1)CC(C)(OC=O)C2
InChIInChI=1S/C12H14O2/c1-9-3-4-10-6-12(2,14-8-13)7-11(10)5-9/h3-5,8H,6-7H2,1-2H3
InChIKeyKJWKQRGOTBBNAA-UHFFFAOYSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl Formate
CID 4428483
9H-fluoren-2-ylmethyl formate
CID 18917963
2,3-dihydro-1H-inden-1-ylmethyl acetate
CID 22944175
(5-Ethyl-2-methyl-1,3-dihydroinden-2-yl)methyl acetate
CID 121484836
2-Methoxy-2-methyl-1,3-dihydroindene
CID 12794141
3-(9H-fluoren-3-yl)propyl formate
CID 18001011
[1-(9H-fluoren-2-yl)-2-methylpropan-2-yl] formate
CID 18001029
2-(9H-fluoren-2-yl)ethyl formate
CID 18001052
[3-(9H-fluoren-3-yl)-2-methylpropyl] formate
CID 18001073
4-(9H-fluoren-4-yl)butyl formate
CID 18001093
9H-fluoren-3-ylmethyl formate
CID 19917781
1-(9H-fluoren-9-yl)ethyl formate
CID 21658143

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1,3-dihydroinden-2-yl) formate?
The IUPAC name of (2,5-dimethyl-1,3-dihydroinden-2-yl) formate (CID 164851564) is (2,5-dimethyl-1,3-dihydroinden-2-yl) formate.
What is the SMILES notation for (2,5-dimethyl-1,3-dihydroinden-2-yl) formate?
The canonical SMILES for (2,5-dimethyl-1,3-dihydroinden-2-yl) formate is Cc1ccc2c(c1)CC(C)(OC=O)C2.
What is the InChIKey of (2,5-dimethyl-1,3-dihydroinden-2-yl) formate?
The InChIKey is KJWKQRGOTBBNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-9-3-4-10-6-12(2,14-8-13)7-11(10)5-9/h3-5,8H,6-7H2,1-2H3.
What are the key properties of (2,5-dimethyl-1,3-dihydroinden-2-yl) formate?
(2,5-dimethyl-1,3-dihydroinden-2-yl) formate has a molecular weight of 190.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1,3-dihydroinden-2-yl) formate is sourced from PubChem (CID 164851564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).