1-[(3-bromophenyl)methyl]cycloheptan-1-ol

C14H19BrO — CID 60797544

IUPAC1-[(3-bromophenyl)methyl]cycloheptan-1-ol
SMILESOC1(Cc2cccc(Br)c2)CCCCCC1
InChIInChI=1S/C14H19BrO/c15-13-7-5-6-12(10-13)11-14(16)8-3-1-2-4-9-14/h5-7,10,16H,1-4,8-9,11H2
InChIKeyBAIBCAMITIXMTB-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.08
Rot. Bonds2

About 1-[(3-bromophenyl)methyl]cycloheptan-1-ol

1-[(3-bromophenyl)methyl]cycloheptan-1-ol (PubChem CID 60797544) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]cycloheptan-1-ol
PubChem CID60797544
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name1-[(3-bromophenyl)methyl]cycloheptan-1-ol
SMILESOC1(Cc2cccc(Br)c2)CCCCCC1
InChIInChI=1S/C14H19BrO/c15-13-7-5-6-12(10-13)11-14(16)8-3-1-2-4-9-14/h5-7,10,16H,1-4,8-9,11H2
InChIKeyBAIBCAMITIXMTB-UHFFFAOYSA-N
XLogP4.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(3-bromophenyl)ethyl]cyclopentan-1-ol
CID 115073744
4-[(3-bromophenyl)methyl]-1-ethylazepan-4-ol
CID 65077307
3-[(3-bromophenyl)methyl]oxetan-3-ol
CID 164643776
1-[(3-chlorophenyl)methyl]cycloheptan-1-ol
CID 60797404
1-[(3-bromophenyl)methyl]-4-tert-butylcycloheptan-1-ol
CID 65094519
4-[(3-bromophenyl)methyl]-1-propylazepan-4-ol
CID 65078059
1-[(3-chlorophenyl)methyl]cyclopentan-1-ol
CID 60798466
6-[(3-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-ol
CID 79331771
1-[2-(3-bromophenyl)ethyl]cyclopropan-1-ol
CID 84702390
N-[[1-[(3-bromophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63507661
1-bromo-3-[(1-isocyanocyclobutyl)methyl]benzene
CID 176776885
1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65147295

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(3-bromophenyl)methyl]cycloheptan-1-ol (CID 60797544) is 1-[(3-bromophenyl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(3-bromophenyl)methyl]cycloheptan-1-ol is OC1(Cc2cccc(Br)c2)CCCCCC1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]cycloheptan-1-ol?
The InChIKey is BAIBCAMITIXMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c15-13-7-5-6-12(10-13)11-14(16)8-3-1-2-4-9-14/h5-7,10,16H,1-4,8-9,11H2.
What are the key properties of 1-[(3-bromophenyl)methyl]cycloheptan-1-ol?
1-[(3-bromophenyl)methyl]cycloheptan-1-ol has a molecular weight of 283.21 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]cycloheptan-1-ol is sourced from PubChem (CID 60797544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).