2-[(4-bromophenyl)methyl]-3-(3-chloro-2-fluorophenyl)propan-1-ol

C16H15BrClFO — CID 102863663

IUPAC2-[(4-bromophenyl)methyl]-3-(3-chloro-2-fluorophenyl)propan-1-ol
SMILESOCC(Cc1ccc(Br)cc1)Cc1cccc(Cl)c1F
InChIInChI=1S/C16H15BrClFO/c17-14-6-4-11(5-7-14)8-12(10-20)9-13-2-1-3-15(18)16(13)19/h1-7,12,20H,8-10H2
InChIKeySMQLMPLRUXPYOS-UHFFFAOYSA-N
MW357.65 g/mol
LogP4.64
Rot. Bonds5

About 2-[(4-bromophenyl)methyl]-3-(3-chloro-2-fluorophenyl)propan-1-ol

2-[(4-bromophenyl)methyl]-3-(3-chloro-2-fluorophenyl)propan-1-ol (PubChem CID 102863663) has the molecular formula C16H15BrClFO and a molecular weight of 357.65 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-3-(3-chloro-2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-3-(3-chloro-2-fluorophenyl)propan-1-ol
PubChem CID102863663
Molecular FormulaC16H15BrClFO
Molecular Weight357.65 g/mol
Exact Mass356.00
IUPAC Name2-[(4-bromophenyl)methyl]-3-(3-chloro-2-fluorophenyl)propan-1-ol
SMILESOCC(Cc1ccc(Br)cc1)Cc1cccc(Cl)c1F
InChIInChI=1S/C16H15BrClFO/c17-14-6-4-11(5-7-14)8-12(10-20)9-13-2-1-3-15(18)16(13)19/h1-7,12,20H,8-10H2
InChIKeySMQLMPLRUXPYOS-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.65
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-3-(3-chloro-2-fluorophenyl)propan-1-ol
CID 102863681
2-[(4-bromophenyl)methyl]-3-(3-chloro-2-fluorophenyl)propanoic acid
CID 102856630
2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride
CID 170892601
1-(4-bromophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102857503
2-[(3-chloro-2-fluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 102858628
2-benzyl-3-(2,3-dichlorophenyl)propan-1-ol
CID 107310710
1-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 82803292
1-(3-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 82806467
1-chloro-3-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2-fluorobenzene
CID 102863748
2-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylbutan-1-ol
CID 102863692
2-[(3-bromophenyl)methyl]-3-(2-fluorophenyl)propan-1-ol
CID 66059292
2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol
CID 82802724

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-3-(3-chloro-2-fluorophenyl)propan-1-ol?
The IUPAC name of 2-[(4-bromophenyl)methyl]-3-(3-chloro-2-fluorophenyl)propan-1-ol (CID 102863663) is 2-[(4-bromophenyl)methyl]-3-(3-chloro-2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-3-(3-chloro-2-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-3-(3-chloro-2-fluorophenyl)propan-1-ol is OCC(Cc1ccc(Br)cc1)Cc1cccc(Cl)c1F.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-3-(3-chloro-2-fluorophenyl)propan-1-ol?
The InChIKey is SMQLMPLRUXPYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClFO/c17-14-6-4-11(5-7-14)8-12(10-20)9-13-2-1-3-15(18)16(13)19/h1-7,12,20H,8-10H2.
What are the key properties of 2-[(4-bromophenyl)methyl]-3-(3-chloro-2-fluorophenyl)propan-1-ol?
2-[(4-bromophenyl)methyl]-3-(3-chloro-2-fluorophenyl)propan-1-ol has a molecular weight of 357.65 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-3-(3-chloro-2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 102863663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).