2,3-dihydro-1H-inden-5-ylmethyl carbonochloridate

C11H11ClO2 — CID 83820869

IUPAC2,3-dihydro-1H-inden-5-ylmethyl carbonochloridate
SMILESO=C(Cl)OCc1ccc2c(c1)CCC2
InChIInChI=1S/C11H11ClO2/c12-11(13)14-7-8-4-5-9-2-1-3-10(9)6-8/h4-6H,1-3,7H2
InChIKeySYSJDGPECDREHB-UHFFFAOYSA-N
MW210.66 g/mol
LogP3.05
Rot. Bonds2

About 2,3-dihydro-1H-inden-5-ylmethyl carbonochloridate

2,3-dihydro-1H-inden-5-ylmethyl carbonochloridate (PubChem CID 83820869) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-ylmethyl carbonochloridate.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-ylmethyl carbonochloridate
PubChem CID83820869
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name2,3-dihydro-1H-inden-5-ylmethyl carbonochloridate
SMILESO=C(Cl)OCc1ccc2c(c1)CCC2
InChIInChI=1S/C11H11ClO2/c12-11(13)14-7-8-4-5-9-2-1-3-10(9)6-8/h4-6H,1-3,7H2
InChIKeySYSJDGPECDREHB-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydro-1H-inden-5-ylmethyl 5-aminopyridine-2-carboxylate
CID 81315987
2-(2,3-dihydro-1H-inden-5-yl)ethyl carbamate
CID 174986935
(2S)-2-(2,3-dihydro-1H-inden-5-ylmethoxy)propanoic acid
CID 104876281
2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 25653
6-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene
CID 90992767
(4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-indene-5-carboxylate
CID 9010500
N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamoyl chloride
CID 115194877
3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoic acid
CID 82350821
5-amino-2-(2,3-dihydro-1H-inden-5-ylmethoxy)benzamide
CID 106956274
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
2-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)phenyl]acetic acid
CID 80722668
3-(2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 12646159

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-ylmethyl carbonochloridate?
The IUPAC name of 2,3-dihydro-1H-inden-5-ylmethyl carbonochloridate (CID 83820869) is 2,3-dihydro-1H-inden-5-ylmethyl carbonochloridate.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-ylmethyl carbonochloridate?
The canonical SMILES for 2,3-dihydro-1H-inden-5-ylmethyl carbonochloridate is O=C(Cl)OCc1ccc2c(c1)CCC2.
What is the InChIKey of 2,3-dihydro-1H-inden-5-ylmethyl carbonochloridate?
The InChIKey is SYSJDGPECDREHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c12-11(13)14-7-8-4-5-9-2-1-3-10(9)6-8/h4-6H,1-3,7H2.
What are the key properties of 2,3-dihydro-1H-inden-5-ylmethyl carbonochloridate?
2,3-dihydro-1H-inden-5-ylmethyl carbonochloridate has a molecular weight of 210.66 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-ylmethyl carbonochloridate is sourced from PubChem (CID 83820869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).