2-(3-bromopropyl)-5-(chloromethyl)phenol

C10H12BrClO — CID 131308340

IUPAC2-(3-bromopropyl)-5-(chloromethyl)phenol
SMILESOc1cc(CCl)ccc1CCCBr
InChIInChI=1S/C10H12BrClO/c11-5-1-2-9-4-3-8(7-12)6-10(9)13/h3-4,6,13H,1-2,5,7H2
InChIKeyLETHSRRSSBDYCQ-UHFFFAOYSA-N
MW263.56 g/mol
LogP3.46
Rot. Bonds4

About 2-(3-bromopropyl)-5-(chloromethyl)phenol

2-(3-bromopropyl)-5-(chloromethyl)phenol (PubChem CID 131308340) has the molecular formula C10H12BrClO and a molecular weight of 263.56 g/mol. Its IUPAC name is 2-(3-bromopropyl)-5-(chloromethyl)phenol.

Molecular Properties

Compound Name2-(3-bromopropyl)-5-(chloromethyl)phenol
PubChem CID131308340
Molecular FormulaC10H12BrClO
Molecular Weight263.56 g/mol
Exact Mass261.98
IUPAC Name2-(3-bromopropyl)-5-(chloromethyl)phenol
SMILESOc1cc(CCl)ccc1CCCBr
InChIInChI=1S/C10H12BrClO/c11-5-1-2-9-4-3-8(7-12)6-10(9)13/h3-4,6,13H,1-2,5,7H2
InChIKeyLETHSRRSSBDYCQ-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.56
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromopropyl)-5-chlorophenol
CID 118836469
3-(3-bromopropyl)-4-(chloromethyl)phenol
CID 131307247
3-(3-bromopropyl)-2-fluorophenol
CID 131093499
1-(3-bromopropyl)-4-chloro-2-(chloromethyl)benzene
CID 118830925
[4-(chloromethyl)-2-(hydroxymethyl)phenyl]methanol
CID 58348907
[3-bromo-4-(3-bromopropyl)phenyl]methanol
CID 134625359
2-butyl-5-pentadecylphenol
CID 175271686
4-(3-bromopropyl)-2-(chloromethyl)-1-methylbenzene
CID 131431431
4-(3-bromopropyl)-3-sulfanylphenol
CID 131168124
2-[3-bromo-4-(3-bromopropyl)phenyl]acetic acid
CID 134625365
1,4-bis(chloromethyl)-2-pentylbenzene
CID 69328876
1-(3-bromopropyl)-2,3-difluorobenzene
CID 53433974

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropyl)-5-(chloromethyl)phenol?
The IUPAC name of 2-(3-bromopropyl)-5-(chloromethyl)phenol (CID 131308340) is 2-(3-bromopropyl)-5-(chloromethyl)phenol.
What is the SMILES notation for 2-(3-bromopropyl)-5-(chloromethyl)phenol?
The canonical SMILES for 2-(3-bromopropyl)-5-(chloromethyl)phenol is Oc1cc(CCl)ccc1CCCBr.
What is the InChIKey of 2-(3-bromopropyl)-5-(chloromethyl)phenol?
The InChIKey is LETHSRRSSBDYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClO/c11-5-1-2-9-4-3-8(7-12)6-10(9)13/h3-4,6,13H,1-2,5,7H2.
What are the key properties of 2-(3-bromopropyl)-5-(chloromethyl)phenol?
2-(3-bromopropyl)-5-(chloromethyl)phenol has a molecular weight of 263.56 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropyl)-5-(chloromethyl)phenol is sourced from PubChem (CID 131308340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).