1-[2-(3-bromophenyl)ethyl]cyclopentan-1-ol

C13H17BrO — CID 115073744

IUPAC1-[2-(3-bromophenyl)ethyl]cyclopentan-1-ol
SMILESOC1(CCc2cccc(Br)c2)CCCC1
InChIInChI=1S/C13H17BrO/c14-12-5-3-4-11(10-12)6-9-13(15)7-1-2-8-13/h3-5,10,15H,1-2,6-9H2
InChIKeyKTDZSQPSYZWAKK-UHFFFAOYSA-N
MW269.18 g/mol
LogP3.69
Rot. Bonds3

About 1-[2-(3-bromophenyl)ethyl]cyclopentan-1-ol

1-[2-(3-bromophenyl)ethyl]cyclopentan-1-ol (PubChem CID 115073744) has the molecular formula C13H17BrO and a molecular weight of 269.18 g/mol. Its IUPAC name is 1-[2-(3-bromophenyl)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[2-(3-bromophenyl)ethyl]cyclopentan-1-ol
PubChem CID115073744
Molecular FormulaC13H17BrO
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name1-[2-(3-bromophenyl)ethyl]cyclopentan-1-ol
SMILESOC1(CCc2cccc(Br)c2)CCCC1
InChIInChI=1S/C13H17BrO/c14-12-5-3-4-11(10-12)6-9-13(15)7-1-2-8-13/h3-5,10,15H,1-2,6-9H2
InChIKeyKTDZSQPSYZWAKK-UHFFFAOYSA-N
XLogP3.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(3-bromophenyl)ethyl]cyclopropan-1-ol
CID 84702390
1-[(3-bromophenyl)methyl]cycloheptan-1-ol
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1-[2-(4-bromophenyl)ethyl]cyclopentan-1-ol
CID 115073756
[1-[2-(3-bromophenyl)ethyl]cyclopropyl]methanamine
CID 67395688
1-[2-(3-methylphenyl)ethyl]cyclopropan-1-ol
CID 62668960
2-(3-bromophenyl)ethanol
CID 2734090
1-[2-(3-bromophenyl)ethyl]tricyclo[5.3.1.03,9]undecan-7-ol
CID 70930142
6-[(3-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-ol
CID 79331771
1-[2-(4-chlorophenyl)ethyl]cyclopentan-1-ol
CID 18398262
3-[(3-bromophenyl)methyl]oxetan-3-ol
CID 164643776
4-[(3-bromophenyl)methyl]-1-ethylazepan-4-ol
CID 65077307
3-(3-bromophenyl)propanoyl chloride
CID 12607235

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenyl)ethyl]cyclopentan-1-ol?
The IUPAC name of 1-[2-(3-bromophenyl)ethyl]cyclopentan-1-ol (CID 115073744) is 1-[2-(3-bromophenyl)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[2-(3-bromophenyl)ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-[2-(3-bromophenyl)ethyl]cyclopentan-1-ol is OC1(CCc2cccc(Br)c2)CCCC1.
What is the InChIKey of 1-[2-(3-bromophenyl)ethyl]cyclopentan-1-ol?
The InChIKey is KTDZSQPSYZWAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO/c14-12-5-3-4-11(10-12)6-9-13(15)7-1-2-8-13/h3-5,10,15H,1-2,6-9H2.
What are the key properties of 1-[2-(3-bromophenyl)ethyl]cyclopentan-1-ol?
1-[2-(3-bromophenyl)ethyl]cyclopentan-1-ol has a molecular weight of 269.18 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenyl)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 115073744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).