6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde

C12H13BrO — CID 174249169

IUPAC6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
SMILESCC1c2ccc(Br)cc2CCC1C=O
InChIInChI=1S/C12H13BrO/c1-8-10(7-14)3-2-9-6-11(13)4-5-12(8)9/h4-8,10H,2-3H2,1H3
InChIKeyDMNXIUGOYIEZKH-UHFFFAOYSA-N
MW253.14 g/mol
LogP3.31
Rot. Bonds1

About 6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde

6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde (PubChem CID 174249169) has the molecular formula C12H13BrO and a molecular weight of 253.14 g/mol. Its IUPAC name is 6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
PubChem CID174249169
Molecular FormulaC12H13BrO
Molecular Weight253.14 g/mol
Exact Mass252.01
IUPAC Name6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
SMILESCC1c2ccc(Br)cc2CCC1C=O
InChIInChI=1S/C12H13BrO/c1-8-10(7-14)3-2-9-6-11(13)4-5-12(8)9/h4-8,10H,2-3H2,1H3
InChIKeyDMNXIUGOYIEZKH-UHFFFAOYSA-N
XLogP3.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 53.31
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

8-bromo-1-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one
CID 140979626
5-bromo-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 22349548
6-bromo-2,3-dihydro-1H-indene-1-carbaldehyde
CID 134939038
2-bromo-5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 167601855
(1S)-5-bromo-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 167334523
5-bromo-1-deuterio-2,3-dihydroinden-1-amine
CID 172734129
5-bromo-N-methyl-2,3-dihydro-1H-indene-1-carboxamide
CID 166828796
3-(5-bromo-2,3-dihydro-1H-inden-1-yl)prop-2-enoic acid
CID 174385388
(1R,2S)-2-ethenyl-6-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene
CID 45103435
5-bromo-1-propan-2-yloxy-2,3-dihydro-1H-indene
CID 47002601
(1R)-6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 96980969
(1R,2R)-2-(4-bromophenyl)-4-methylcyclohex-3-ene-1,3-dicarbaldehyde
CID 102406675

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde?
The IUPAC name of 6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde (CID 174249169) is 6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde.
What is the SMILES notation for 6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde?
The canonical SMILES for 6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde is CC1c2ccc(Br)cc2CCC1C=O.
What is the InChIKey of 6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde?
The InChIKey is DMNXIUGOYIEZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO/c1-8-10(7-14)3-2-9-6-11(13)4-5-12(8)9/h4-8,10H,2-3H2,1H3.
What are the key properties of 6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde?
6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde has a molecular weight of 253.14 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 174249169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).