4-propan-2-yl-1-(4-propylphenyl)cyclohexan-1-ol

C18H28O — CID 63406977

IUPAC4-propan-2-yl-1-(4-propylphenyl)cyclohexan-1-ol
SMILESCCCc1ccc(C2(O)CCC(C(C)C)CC2)cc1
InChIInChI=1S/C18H28O/c1-4-5-15-6-8-17(9-7-15)18(19)12-10-16(11-13-18)14(2)3/h6-9,14,16,19H,4-5,10-13H2,1-3H3
InChIKeyLMJIITFQGLSWMZ-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.67
Rot. Bonds4

About 4-propan-2-yl-1-(4-propylphenyl)cyclohexan-1-ol

4-propan-2-yl-1-(4-propylphenyl)cyclohexan-1-ol (PubChem CID 63406977) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 4-propan-2-yl-1-(4-propylphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-propan-2-yl-1-(4-propylphenyl)cyclohexan-1-ol
PubChem CID63406977
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name4-propan-2-yl-1-(4-propylphenyl)cyclohexan-1-ol
SMILESCCCc1ccc(C2(O)CCC(C(C)C)CC2)cc1
InChIInChI=1S/C18H28O/c1-4-5-15-6-8-17(9-7-15)18(19)12-10-16(11-13-18)14(2)3/h6-9,14,16,19H,4-5,10-13H2,1-3H3
InChIKeyLMJIITFQGLSWMZ-UHFFFAOYSA-N
XLogP4.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-(4-propylphenyl)cyclohexan-1-ol?
The IUPAC name of 4-propan-2-yl-1-(4-propylphenyl)cyclohexan-1-ol (CID 63406977) is 4-propan-2-yl-1-(4-propylphenyl)cyclohexan-1-ol.
What is the SMILES notation for 4-propan-2-yl-1-(4-propylphenyl)cyclohexan-1-ol?
The canonical SMILES for 4-propan-2-yl-1-(4-propylphenyl)cyclohexan-1-ol is CCCc1ccc(C2(O)CCC(C(C)C)CC2)cc1.
What is the InChIKey of 4-propan-2-yl-1-(4-propylphenyl)cyclohexan-1-ol?
The InChIKey is LMJIITFQGLSWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-4-5-15-6-8-17(9-7-15)18(19)12-10-16(11-13-18)14(2)3/h6-9,14,16,19H,4-5,10-13H2,1-3H3.
What are the key properties of 4-propan-2-yl-1-(4-propylphenyl)cyclohexan-1-ol?
4-propan-2-yl-1-(4-propylphenyl)cyclohexan-1-ol has a molecular weight of 260.42 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-(4-propylphenyl)cyclohexan-1-ol is sourced from PubChem (CID 63406977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).