2-(3-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol

C18H28O — CID 55194345

IUPAC2-(3-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CCCc2ccccc2)C1
InChIInChI=1S/C18H28O/c1-14(2)16-11-12-18(19)17(13-16)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,14,16-19H,6,9-13H2,1-2H3
InChIKeyWIRDAINKTOVBNR-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.44
Rot. Bonds5

About 2-(3-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol

2-(3-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 55194345) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-(3-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(3-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID55194345
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name2-(3-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CCCc2ccccc2)C1
InChIInChI=1S/C18H28O/c1-14(2)16-11-12-18(19)17(13-16)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,14,16-19H,6,9-13H2,1-2H3
InChIKeyWIRDAINKTOVBNR-UHFFFAOYSA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-(3-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol (CID 55194345) is 2-(3-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-(3-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-(3-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)C(CCCc2ccccc2)C1.
What is the InChIKey of 2-(3-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is WIRDAINKTOVBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-14(2)16-11-12-18(19)17(13-16)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,14,16-19H,6,9-13H2,1-2H3.
What are the key properties of 2-(3-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol?
2-(3-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 260.42 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 55194345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).