1-[3-(4-bromophenyl)prop-2-ynyl]cyclopentan-1-ol

C14H15BrO — CID 126847551

IUPAC1-[3-(4-bromophenyl)prop-2-ynyl]cyclopentan-1-ol
SMILESOC1(CC#Cc2ccc(Br)cc2)CCCC1
InChIInChI=1S/C14H15BrO/c15-13-7-5-12(6-8-13)4-3-11-14(16)9-1-2-10-14/h5-8,16H,1-2,9-11H2
InChIKeyVXVUOYILBPPYAB-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.50
Rot. Bonds1

About 1-[3-(4-bromophenyl)prop-2-ynyl]cyclopentan-1-ol

1-[3-(4-bromophenyl)prop-2-ynyl]cyclopentan-1-ol (PubChem CID 126847551) has the molecular formula C14H15BrO and a molecular weight of 279.18 g/mol. Its IUPAC name is 1-[3-(4-bromophenyl)prop-2-ynyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[3-(4-bromophenyl)prop-2-ynyl]cyclopentan-1-ol
PubChem CID126847551
Molecular FormulaC14H15BrO
Molecular Weight279.18 g/mol
Exact Mass278.03
IUPAC Name1-[3-(4-bromophenyl)prop-2-ynyl]cyclopentan-1-ol
SMILESOC1(CC#Cc2ccc(Br)cc2)CCCC1
InChIInChI=1S/C14H15BrO/c15-13-7-5-12(6-8-13)4-3-11-14(16)9-1-2-10-14/h5-8,16H,1-2,9-11H2
InChIKeyVXVUOYILBPPYAB-UHFFFAOYSA-N
XLogP3.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromophenyl)prop-2-ynyl]cyclopentan-1-ol?
The IUPAC name of 1-[3-(4-bromophenyl)prop-2-ynyl]cyclopentan-1-ol (CID 126847551) is 1-[3-(4-bromophenyl)prop-2-ynyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[3-(4-bromophenyl)prop-2-ynyl]cyclopentan-1-ol?
The canonical SMILES for 1-[3-(4-bromophenyl)prop-2-ynyl]cyclopentan-1-ol is OC1(CC#Cc2ccc(Br)cc2)CCCC1.
What is the InChIKey of 1-[3-(4-bromophenyl)prop-2-ynyl]cyclopentan-1-ol?
The InChIKey is VXVUOYILBPPYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO/c15-13-7-5-12(6-8-13)4-3-11-14(16)9-1-2-10-14/h5-8,16H,1-2,9-11H2.
What are the key properties of 1-[3-(4-bromophenyl)prop-2-ynyl]cyclopentan-1-ol?
1-[3-(4-bromophenyl)prop-2-ynyl]cyclopentan-1-ol has a molecular weight of 279.18 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromophenyl)prop-2-ynyl]cyclopentan-1-ol is sourced from PubChem (CID 126847551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).