3-[4-[(5-bromo-2-chlorophenyl)methyl]phenyl]propan-1-ol

C16H16BrClO — CID 59557756

IUPAC3-[4-[(5-bromo-2-chlorophenyl)methyl]phenyl]propan-1-ol
SMILESOCCCc1ccc(Cc2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C16H16BrClO/c17-15-7-8-16(18)14(11-15)10-13-5-3-12(4-6-13)2-1-9-19/h3-8,11,19H,1-2,9-10H2
InChIKeyHOAAUMREEMVPDM-UHFFFAOYSA-N
MW339.66 g/mol
LogP4.62
Rot. Bonds5

About 3-[4-[(5-bromo-2-chlorophenyl)methyl]phenyl]propan-1-ol

3-[4-[(5-bromo-2-chlorophenyl)methyl]phenyl]propan-1-ol (PubChem CID 59557756) has the molecular formula C16H16BrClO and a molecular weight of 339.66 g/mol. Its IUPAC name is 3-[4-[(5-bromo-2-chlorophenyl)methyl]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(5-bromo-2-chlorophenyl)methyl]phenyl]propan-1-ol
PubChem CID59557756
Molecular FormulaC16H16BrClO
Molecular Weight339.66 g/mol
Exact Mass338.01
IUPAC Name3-[4-[(5-bromo-2-chlorophenyl)methyl]phenyl]propan-1-ol
SMILESOCCCc1ccc(Cc2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C16H16BrClO/c17-15-7-8-16(18)14(11-15)10-13-5-3-12(4-6-13)2-1-9-19/h3-8,11,19H,1-2,9-10H2
InChIKeyHOAAUMREEMVPDM-UHFFFAOYSA-N
XLogP4.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.66
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(5-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride
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(5-bromo-2-chlorophenyl)methanesulfinic acid
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3-(5-bromo-2-chlorophenyl)-N,N-dimethylpropan-1-amine
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CID 59235389

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-bromo-2-chlorophenyl)methyl]phenyl]propan-1-ol?
The IUPAC name of 3-[4-[(5-bromo-2-chlorophenyl)methyl]phenyl]propan-1-ol (CID 59557756) is 3-[4-[(5-bromo-2-chlorophenyl)methyl]phenyl]propan-1-ol.
What is the SMILES notation for 3-[4-[(5-bromo-2-chlorophenyl)methyl]phenyl]propan-1-ol?
The canonical SMILES for 3-[4-[(5-bromo-2-chlorophenyl)methyl]phenyl]propan-1-ol is OCCCc1ccc(Cc2cc(Br)ccc2Cl)cc1.
What is the InChIKey of 3-[4-[(5-bromo-2-chlorophenyl)methyl]phenyl]propan-1-ol?
The InChIKey is HOAAUMREEMVPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO/c17-15-7-8-16(18)14(11-15)10-13-5-3-12(4-6-13)2-1-9-19/h3-8,11,19H,1-2,9-10H2.
What are the key properties of 3-[4-[(5-bromo-2-chlorophenyl)methyl]phenyl]propan-1-ol?
3-[4-[(5-bromo-2-chlorophenyl)methyl]phenyl]propan-1-ol has a molecular weight of 339.66 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-bromo-2-chlorophenyl)methyl]phenyl]propan-1-ol is sourced from PubChem (CID 59557756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).