2-(4-chloro-2,3-dihydro-1H-inden-2-yl)acetaldehyde

C11H11ClO — CID 105448649

IUPAC2-(4-chloro-2,3-dihydro-1H-inden-2-yl)acetaldehyde
SMILESO=CCC1Cc2cccc(Cl)c2C1
InChIInChI=1S/C11H11ClO/c12-11-3-1-2-9-6-8(4-5-13)7-10(9)11/h1-3,5,8H,4,6-7H2
InChIKeyLMNUTMMMGHQLNT-UHFFFAOYSA-N
MW194.66 g/mol
LogP2.64
Rot. Bonds2

About 2-(4-chloro-2,3-dihydro-1H-inden-2-yl)acetaldehyde

2-(4-chloro-2,3-dihydro-1H-inden-2-yl)acetaldehyde (PubChem CID 105448649) has the molecular formula C11H11ClO and a molecular weight of 194.66 g/mol. Its IUPAC name is 2-(4-chloro-2,3-dihydro-1H-inden-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-chloro-2,3-dihydro-1H-inden-2-yl)acetaldehyde
PubChem CID105448649
Molecular FormulaC11H11ClO
Molecular Weight194.66 g/mol
Exact Mass194.05
IUPAC Name2-(4-chloro-2,3-dihydro-1H-inden-2-yl)acetaldehyde
SMILESO=CCC1Cc2cccc(Cl)c2C1
InChIInChI=1S/C11H11ClO/c12-11-3-1-2-9-6-8(4-5-13)7-10(9)11/h1-3,5,8H,4,6-7H2
InChIKeyLMNUTMMMGHQLNT-UHFFFAOYSA-N
XLogP2.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(7-chloro-2,3-dihydro-1H-indol-2-yl)acetaldehyde
CID 112711575
2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetaldehyde
CID 105448650
4-chloro-N-ethyl-2,3-dihydro-1H-inden-2-amine
CID 23396987
2-(3,4-dihydro-2H-chromen-3-yl)acetaldehyde
CID 142734505
2-(5-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetaldehyde
CID 54021692
4-chloro-N-cyclopropyl-2,3-dihydro-1H-inden-2-amine
CID 83834003
2-(4-chloro-2,3-dihydro-1H-inden-2-yl)-2-methylpropan-1-amine
CID 105481561
2-[(2S)-4-bromo-2,3-dihydro-1H-inden-2-yl]acetic acid
CID 97029289
8-chloro-3,4-dihydro-1H-isochromene
CID 90917909
5-chloro-N-cyclopropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 83838580
(2R)-2-amino-1-(5-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-one
CID 178126498
4-(4-chloro-2,3-dihydro-1H-inden-2-yl)-2,3-dihydro-1H-imidazole-2-carbothialdehyde
CID 174446921

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,3-dihydro-1H-inden-2-yl)acetaldehyde?
The IUPAC name of 2-(4-chloro-2,3-dihydro-1H-inden-2-yl)acetaldehyde (CID 105448649) is 2-(4-chloro-2,3-dihydro-1H-inden-2-yl)acetaldehyde.
What is the SMILES notation for 2-(4-chloro-2,3-dihydro-1H-inden-2-yl)acetaldehyde?
The canonical SMILES for 2-(4-chloro-2,3-dihydro-1H-inden-2-yl)acetaldehyde is O=CCC1Cc2cccc(Cl)c2C1.
What is the InChIKey of 2-(4-chloro-2,3-dihydro-1H-inden-2-yl)acetaldehyde?
The InChIKey is LMNUTMMMGHQLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO/c12-11-3-1-2-9-6-8(4-5-13)7-10(9)11/h1-3,5,8H,4,6-7H2.
What are the key properties of 2-(4-chloro-2,3-dihydro-1H-inden-2-yl)acetaldehyde?
2-(4-chloro-2,3-dihydro-1H-inden-2-yl)acetaldehyde has a molecular weight of 194.66 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,3-dihydro-1H-inden-2-yl)acetaldehyde is sourced from PubChem (CID 105448649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).