1-[4-[(3-bromophenyl)methoxy]phenyl]propan-2-ol

C16H17BrO2 — CID 115495740

IUPAC1-[4-[(3-bromophenyl)methoxy]phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(OCc2cccc(Br)c2)cc1
InChIInChI=1S/C16H17BrO2/c1-12(18)9-13-5-7-16(8-6-13)19-11-14-3-2-4-15(17)10-14/h2-8,10,12,18H,9,11H2,1H3
InChIKeyXXKAZPISLVMKNC-UHFFFAOYSA-N
MW321.21 g/mol
LogP3.95
Rot. Bonds5

About 1-[4-[(3-bromophenyl)methoxy]phenyl]propan-2-ol

1-[4-[(3-bromophenyl)methoxy]phenyl]propan-2-ol (PubChem CID 115495740) has the molecular formula C16H17BrO2 and a molecular weight of 321.21 g/mol. Its IUPAC name is 1-[4-[(3-bromophenyl)methoxy]phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[(3-bromophenyl)methoxy]phenyl]propan-2-ol
PubChem CID115495740
Molecular FormulaC16H17BrO2
Molecular Weight321.21 g/mol
Exact Mass320.04
IUPAC Name1-[4-[(3-bromophenyl)methoxy]phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(OCc2cccc(Br)c2)cc1
InChIInChI=1S/C16H17BrO2/c1-12(18)9-13-5-7-16(8-6-13)19-11-14-3-2-4-15(17)10-14/h2-8,10,12,18H,9,11H2,1H3
InChIKeyXXKAZPISLVMKNC-UHFFFAOYSA-N
XLogP3.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(3-bromophenyl)methoxy]phenyl]-N-ethylpropan-2-amine
CID 115494906
(1S)-1-[4-[(3-bromophenyl)methoxy]phenyl]ethanamine
CID 55190790
1-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-ol
CID 18927881
1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine
CID 60880082
1-bromo-3-[(4-propoxyphenoxy)methyl]benzene
CID 60645272
1-bromo-3-[(4-iodophenoxy)methyl]benzene
CID 60645515
1-bromo-3-[(4-fluorophenoxy)methyl]benzene
CID 60643983
1-bromo-3-[(4-chlorophenoxy)methyl]benzene
CID 60643956
methyl 3-[4-[(3-bromophenyl)methoxy]phenyl]propanoate
CID 23136270
1-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-ol
CID 113323114
4-[(3-bromophenyl)methoxy]benzamide
CID 26051380
2-bromo-6-[(3-bromophenyl)methoxy]naphthalene
CID 7786828

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-bromophenyl)methoxy]phenyl]propan-2-ol?
The IUPAC name of 1-[4-[(3-bromophenyl)methoxy]phenyl]propan-2-ol (CID 115495740) is 1-[4-[(3-bromophenyl)methoxy]phenyl]propan-2-ol.
What is the SMILES notation for 1-[4-[(3-bromophenyl)methoxy]phenyl]propan-2-ol?
The canonical SMILES for 1-[4-[(3-bromophenyl)methoxy]phenyl]propan-2-ol is CC(O)Cc1ccc(OCc2cccc(Br)c2)cc1.
What is the InChIKey of 1-[4-[(3-bromophenyl)methoxy]phenyl]propan-2-ol?
The InChIKey is XXKAZPISLVMKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO2/c1-12(18)9-13-5-7-16(8-6-13)19-11-14-3-2-4-15(17)10-14/h2-8,10,12,18H,9,11H2,1H3.
What are the key properties of 1-[4-[(3-bromophenyl)methoxy]phenyl]propan-2-ol?
1-[4-[(3-bromophenyl)methoxy]phenyl]propan-2-ol has a molecular weight of 321.21 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-bromophenyl)methoxy]phenyl]propan-2-ol is sourced from PubChem (CID 115495740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).