3-chloro-1,4-dihydronaphthalene-2-carbaldehyde

C11H9ClO — CID 130026285

IUPAC3-chloro-1,4-dihydronaphthalene-2-carbaldehyde
SMILESO=CC1=C(Cl)Cc2ccccc2C1
InChIInChI=1S/C11H9ClO/c12-11-6-9-4-2-1-3-8(9)5-10(11)7-13/h1-4,7H,5-6H2
InChIKeyNBEAJWWZZXQETP-UHFFFAOYSA-N
MW192.65 g/mol
LogP2.48
Rot. Bonds1

About 3-chloro-1,4-dihydronaphthalene-2-carbaldehyde

3-chloro-1,4-dihydronaphthalene-2-carbaldehyde (PubChem CID 130026285) has the molecular formula C11H9ClO and a molecular weight of 192.65 g/mol. Its IUPAC name is 3-chloro-1,4-dihydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name3-chloro-1,4-dihydronaphthalene-2-carbaldehyde
PubChem CID130026285
Molecular FormulaC11H9ClO
Molecular Weight192.65 g/mol
Exact Mass192.03
IUPAC Name3-chloro-1,4-dihydronaphthalene-2-carbaldehyde
SMILESO=CC1=C(Cl)Cc2ccccc2C1
InChIInChI=1S/C11H9ClO/c12-11-6-9-4-2-1-3-8(9)5-10(11)7-13/h1-4,7H,5-6H2
InChIKeyNBEAJWWZZXQETP-UHFFFAOYSA-N
XLogP2.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 52.48
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

2,3-bis(ethenyl)-1,4-dihydronaphthalene;methane
CID 142529129
bicyclo[4.1.0]hepta-1,3,5-triene;methane
CID 157397080
bicyclo[8.1.0]undeca-1,3,5,7,9-pentaene
CID 91124939
2,3-dichloro-4H-naphthalen-1-one
CID 123154682
3-methyl-1H-cyclopenta[b]naphthalene-2-carbaldehyde
CID 102097914
N-(1H-inden-2-yl)formamide
CID 59823848
9H-fluorene;formic acid
CID 175878260
7H-benzo[7]annulene-6,8-dicarbaldehyde
CID 14195628
9,10-dihydroanthracene;methanamine
CID 123513741
tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione
CID 163817575
acetaldehyde;2,3-dihydro-1H-indene;ethane;1,2,3,4-tetrahydronaphthalene
CID 158377760
3,4-dihydronaphthalene-2-carbaldehyde;hydron
CID 174414426

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,4-dihydronaphthalene-2-carbaldehyde?
The IUPAC name of 3-chloro-1,4-dihydronaphthalene-2-carbaldehyde (CID 130026285) is 3-chloro-1,4-dihydronaphthalene-2-carbaldehyde.
What is the SMILES notation for 3-chloro-1,4-dihydronaphthalene-2-carbaldehyde?
The canonical SMILES for 3-chloro-1,4-dihydronaphthalene-2-carbaldehyde is O=CC1=C(Cl)Cc2ccccc2C1.
What is the InChIKey of 3-chloro-1,4-dihydronaphthalene-2-carbaldehyde?
The InChIKey is NBEAJWWZZXQETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO/c12-11-6-9-4-2-1-3-8(9)5-10(11)7-13/h1-4,7H,5-6H2.
What are the key properties of 3-chloro-1,4-dihydronaphthalene-2-carbaldehyde?
3-chloro-1,4-dihydronaphthalene-2-carbaldehyde has a molecular weight of 192.65 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,4-dihydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 130026285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).