1-bromo-2-propylbenzene;formaldehyde

C10H13BrO — CID 174375700

IUPAC1-bromo-2-propylbenzene;formaldehyde
SMILESC=O.CCCc1ccccc1Br
InChIInChI=1S/C9H11Br.CH2O/c1-2-5-8-6-3-4-7-9(8)10;1-2/h3-4,6-7H,2,5H2,1H3;1H2
InChIKeyRKCRQHRRORJZIJ-UHFFFAOYSA-N
MW229.12 g/mol
LogP3.22
Rot. Bonds2

About 1-bromo-2-propylbenzene;formaldehyde

1-bromo-2-propylbenzene;formaldehyde (PubChem CID 174375700) has the molecular formula C10H13BrO and a molecular weight of 229.12 g/mol. Its IUPAC name is 1-bromo-2-propylbenzene;formaldehyde.

Molecular Properties

Compound Name1-bromo-2-propylbenzene;formaldehyde
PubChem CID174375700
Molecular FormulaC10H13BrO
Molecular Weight229.12 g/mol
Exact Mass228.01
IUPAC Name1-bromo-2-propylbenzene;formaldehyde
SMILESC=O.CCCc1ccccc1Br
InChIInChI=1S/C9H11Br.CH2O/c1-2-5-8-6-3-4-7-9(8)10;1-2/h3-4,6-7H,2,5H2,1H3;1H2
InChIKeyRKCRQHRRORJZIJ-UHFFFAOYSA-N
XLogP3.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 160937062
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1-bromo-2-methyl-3-(2-propylphenyl)benzene
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1-(2-bromoethyl)-2-propylbenzene
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2-(2-bromophenyl)-N-methylethanamine
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1-bromo-2-(2-methoxyethyl)benzene
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CID 60776921
1-[2-(2-bromophenyl)ethyl]-3-butylurea
CID 108888202
2-bromo-1-(2-propylphenyl)ethanone
CID 22121427
1-(2-propylphenyl)ethenol
CID 89240118
1-(2-bromophenyl)pentane-2,3-dione
CID 173141263

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-propylbenzene;formaldehyde?
The IUPAC name of 1-bromo-2-propylbenzene;formaldehyde (CID 174375700) is 1-bromo-2-propylbenzene;formaldehyde.
What is the SMILES notation for 1-bromo-2-propylbenzene;formaldehyde?
The canonical SMILES for 1-bromo-2-propylbenzene;formaldehyde is C=O.CCCc1ccccc1Br.
What is the InChIKey of 1-bromo-2-propylbenzene;formaldehyde?
The InChIKey is RKCRQHRRORJZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br.CH2O/c1-2-5-8-6-3-4-7-9(8)10;1-2/h3-4,6-7H,2,5H2,1H3;1H2.
What are the key properties of 1-bromo-2-propylbenzene;formaldehyde?
1-bromo-2-propylbenzene;formaldehyde has a molecular weight of 229.12 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-propylbenzene;formaldehyde is sourced from PubChem (CID 174375700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).