4-[2-(3-bromophenyl)ethyl]cyclohexan-1-ol

C14H19BrO — CID 147053018

IUPAC4-[2-(3-bromophenyl)ethyl]cyclohexan-1-ol
SMILESOC1CCC(CCc2cccc(Br)c2)CC1
InChIInChI=1S/C14H19BrO/c15-13-3-1-2-12(10-13)5-4-11-6-8-14(16)9-7-11/h1-3,10-11,14,16H,4-9H2
InChIKeyBBRPMFHVCZEVSB-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.93
Rot. Bonds3

About 4-[2-(3-bromophenyl)ethyl]cyclohexan-1-ol

4-[2-(3-bromophenyl)ethyl]cyclohexan-1-ol (PubChem CID 147053018) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is 4-[2-(3-bromophenyl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(3-bromophenyl)ethyl]cyclohexan-1-ol
PubChem CID147053018
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name4-[2-(3-bromophenyl)ethyl]cyclohexan-1-ol
SMILESOC1CCC(CCc2cccc(Br)c2)CC1
InChIInChI=1S/C14H19BrO/c15-13-3-1-2-12(10-13)5-4-11-6-8-14(16)9-7-11/h1-3,10-11,14,16H,4-9H2
InChIKeyBBRPMFHVCZEVSB-UHFFFAOYSA-N
XLogP3.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-bromophenyl)ethyl]cyclohexan-1-ol?
The IUPAC name of 4-[2-(3-bromophenyl)ethyl]cyclohexan-1-ol (CID 147053018) is 4-[2-(3-bromophenyl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-(3-bromophenyl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-(3-bromophenyl)ethyl]cyclohexan-1-ol is OC1CCC(CCc2cccc(Br)c2)CC1.
What is the InChIKey of 4-[2-(3-bromophenyl)ethyl]cyclohexan-1-ol?
The InChIKey is BBRPMFHVCZEVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c15-13-3-1-2-12(10-13)5-4-11-6-8-14(16)9-7-11/h1-3,10-11,14,16H,4-9H2.
What are the key properties of 4-[2-(3-bromophenyl)ethyl]cyclohexan-1-ol?
4-[2-(3-bromophenyl)ethyl]cyclohexan-1-ol has a molecular weight of 283.21 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-bromophenyl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 147053018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).