2-phenyl-1-prop-2-ynylcyclohexan-1-ol

C15H18O — CID 63222408

IUPAC2-phenyl-1-prop-2-ynylcyclohexan-1-ol
SMILESC#CCC1(O)CCCCC1c1ccccc1
InChIInChI=1S/C15H18O/c1-2-11-15(16)12-7-6-10-14(15)13-8-4-3-5-9-13/h1,3-5,8-9,14,16H,6-7,10-12H2
InChIKeyZCVSUVRDXCDEMH-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.10
Rot. Bonds2

About 2-phenyl-1-prop-2-ynylcyclohexan-1-ol

2-phenyl-1-prop-2-ynylcyclohexan-1-ol (PubChem CID 63222408) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-phenyl-1-prop-2-ynylcyclohexan-1-ol.

Molecular Properties

Compound Name2-phenyl-1-prop-2-ynylcyclohexan-1-ol
PubChem CID63222408
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name2-phenyl-1-prop-2-ynylcyclohexan-1-ol
SMILESC#CCC1(O)CCCCC1c1ccccc1
InChIInChI=1S/C15H18O/c1-2-11-15(16)12-7-6-10-14(15)13-8-4-3-5-9-13/h1,3-5,8-9,14,16H,6-7,10-12H2
InChIKeyZCVSUVRDXCDEMH-UHFFFAOYSA-N
XLogP3.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.10
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 2-phenyl-1-prop-2-ynylcyclohexan-1-ol?
The IUPAC name of 2-phenyl-1-prop-2-ynylcyclohexan-1-ol (CID 63222408) is 2-phenyl-1-prop-2-ynylcyclohexan-1-ol.
What is the SMILES notation for 2-phenyl-1-prop-2-ynylcyclohexan-1-ol?
The canonical SMILES for 2-phenyl-1-prop-2-ynylcyclohexan-1-ol is C#CCC1(O)CCCCC1c1ccccc1.
What is the InChIKey of 2-phenyl-1-prop-2-ynylcyclohexan-1-ol?
The InChIKey is ZCVSUVRDXCDEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-2-11-15(16)12-7-6-10-14(15)13-8-4-3-5-9-13/h1,3-5,8-9,14,16H,6-7,10-12H2.
What are the key properties of 2-phenyl-1-prop-2-ynylcyclohexan-1-ol?
2-phenyl-1-prop-2-ynylcyclohexan-1-ol has a molecular weight of 214.31 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-prop-2-ynylcyclohexan-1-ol is sourced from PubChem (CID 63222408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).