3,5-dibromo-4-cyclopentyloxybenzaldehyde

C12H12Br2O2 — CID 107738345

IUPAC3,5-dibromo-4-cyclopentyloxybenzaldehyde
SMILESO=Cc1cc(Br)c(OC2CCCC2)c(Br)c1
InChIInChI=1S/C12H12Br2O2/c13-10-5-8(7-15)6-11(14)12(10)16-9-3-1-2-4-9/h5-7,9H,1-4H2
InChIKeyCSUMFJVYPXWRBR-UHFFFAOYSA-N
MW348.03 g/mol
LogP4.35
Rot. Bonds3

About 3,5-dibromo-4-cyclopentyloxybenzaldehyde

3,5-dibromo-4-cyclopentyloxybenzaldehyde (PubChem CID 107738345) has the molecular formula C12H12Br2O2 and a molecular weight of 348.03 g/mol. Its IUPAC name is 3,5-dibromo-4-cyclopentyloxybenzaldehyde.

Molecular Properties

Compound Name3,5-dibromo-4-cyclopentyloxybenzaldehyde
PubChem CID107738345
Molecular FormulaC12H12Br2O2
Molecular Weight348.03 g/mol
Exact Mass345.92
IUPAC Name3,5-dibromo-4-cyclopentyloxybenzaldehyde
SMILESO=Cc1cc(Br)c(OC2CCCC2)c(Br)c1
InChIInChI=1S/C12H12Br2O2/c13-10-5-8(7-15)6-11(14)12(10)16-9-3-1-2-4-9/h5-7,9H,1-4H2
InChIKeyCSUMFJVYPXWRBR-UHFFFAOYSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.03
LogP ≤ 54.35
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

(E)-3-(3,5-dibromo-4-cyclopentyloxyphenyl)prop-2-enoic acid
CID 107739222
3,5-dibromo-4-cyclopentyloxybenzoic acid
CID 107738683
3-bromo-5-cyclopentyl-4-methoxybenzaldehyde
CID 117454995
3-bromo-5-methoxy-4-(oxolan-3-yloxy)benzaldehyde
CID 63558544
N-[(3,5-dibromo-4-cyclopentyloxyphenyl)methyl]cyclopropanamine
CID 107743553
3-bromo-5-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)benzaldehyde
CID 79901943
1-bromo-2-cyclohexyloxy-3,5-difluorobenzene
CID 146004216
N-[(3,5-dibromo-4-cyclohexyloxyphenyl)methyl]propan-1-amine
CID 107742316
3,5-dibromo-4-(cyclopropylmethoxymethoxy)benzaldehyde
CID 107738292
4-cyclopentyloxybenzaldehyde
CID 3152724
1-(3,5-dibromo-4-cycloheptyloxyphenyl)butan-2-amine
CID 107739935
3-bromo-4-methoxy-5-sulfanylbenzaldehyde
CID 59243969

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-cyclopentyloxybenzaldehyde?
The IUPAC name of 3,5-dibromo-4-cyclopentyloxybenzaldehyde (CID 107738345) is 3,5-dibromo-4-cyclopentyloxybenzaldehyde.
What is the SMILES notation for 3,5-dibromo-4-cyclopentyloxybenzaldehyde?
The canonical SMILES for 3,5-dibromo-4-cyclopentyloxybenzaldehyde is O=Cc1cc(Br)c(OC2CCCC2)c(Br)c1.
What is the InChIKey of 3,5-dibromo-4-cyclopentyloxybenzaldehyde?
The InChIKey is CSUMFJVYPXWRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2O2/c13-10-5-8(7-15)6-11(14)12(10)16-9-3-1-2-4-9/h5-7,9H,1-4H2.
What are the key properties of 3,5-dibromo-4-cyclopentyloxybenzaldehyde?
3,5-dibromo-4-cyclopentyloxybenzaldehyde has a molecular weight of 348.03 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-cyclopentyloxybenzaldehyde is sourced from PubChem (CID 107738345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).