3,5-dibromo-2-propoxybenzaldehyde

C10H10Br2O2 — CID 2167921

IUPAC3,5-dibromo-2-propoxybenzaldehyde
SMILESCCCOc1c(Br)cc(Br)cc1C=O
InChIInChI=1S/C10H10Br2O2/c1-2-3-14-10-7(6-13)4-8(11)5-9(10)12/h4-6H,2-3H2,1H3
InChIKeyPVQDISBTCKQRMH-UHFFFAOYSA-N
MW322.00 g/mol
LogP3.81
Rot. Bonds4

About 3,5-dibromo-2-propoxybenzaldehyde

3,5-dibromo-2-propoxybenzaldehyde (PubChem CID 2167921) has the molecular formula C10H10Br2O2 and a molecular weight of 322.00 g/mol. Its IUPAC name is 3,5-dibromo-2-propoxybenzaldehyde.

Molecular Properties

Compound Name3,5-dibromo-2-propoxybenzaldehyde
PubChem CID2167921
Molecular FormulaC10H10Br2O2
Molecular Weight322.00 g/mol
Exact Mass319.90
IUPAC Name3,5-dibromo-2-propoxybenzaldehyde
SMILESCCCOc1c(Br)cc(Br)cc1C=O
InChIInChI=1S/C10H10Br2O2/c1-2-3-14-10-7(6-13)4-8(11)5-9(10)12/h4-6H,2-3H2,1H3
InChIKeyPVQDISBTCKQRMH-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.00
LogP ≤ 53.81
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

2-[(3,5-dibromo-2-propoxyphenyl)methylidene]butanal
CID 79335525
3,5-dibromo-2-[2-(4-methoxyphenoxy)ethoxy]benzaldehyde
CID 28913666
1,5-dibromo-3-[(E)-2-nitroethenyl]-2-propoxybenzene
CID 55017468
3-(3,5-dibromo-2-propoxyphenyl)-N-ethylprop-2-en-1-amine
CID 79348115
3-(3,5-dibromo-2-propoxyphenyl)-2-methylprop-2-en-1-ol
CID 79334797
3,5-dibromo-2-methoxybenzaldehyde
CID 1494335
3-bromo-2-butoxy-5-tert-butylbenzaldehyde
CID 87533116
(Z)-4-(3,5-dibromo-2-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103092906
3,5-dibromo-2-propoxybenzoic acid
CID 8707159
3-bromo-2-butoxybenzaldehyde
CID 61390829
5-bromo-2,3-diethoxybenzaldehyde
CID 100582069
5-bromo-2-(3-hydroxypropoxy)-3-methylbenzaldehyde
CID 112620620

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-propoxybenzaldehyde?
The IUPAC name of 3,5-dibromo-2-propoxybenzaldehyde (CID 2167921) is 3,5-dibromo-2-propoxybenzaldehyde.
What is the SMILES notation for 3,5-dibromo-2-propoxybenzaldehyde?
The canonical SMILES for 3,5-dibromo-2-propoxybenzaldehyde is CCCOc1c(Br)cc(Br)cc1C=O.
What is the InChIKey of 3,5-dibromo-2-propoxybenzaldehyde?
The InChIKey is PVQDISBTCKQRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O2/c1-2-3-14-10-7(6-13)4-8(11)5-9(10)12/h4-6H,2-3H2,1H3.
What are the key properties of 3,5-dibromo-2-propoxybenzaldehyde?
3,5-dibromo-2-propoxybenzaldehyde has a molecular weight of 322.00 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-propoxybenzaldehyde is sourced from PubChem (CID 2167921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).