1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol

C18H24O — CID 143366321

IUPAC1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol
SMILESCCCc1ccc(C#CC2(O)CCCCC2)c(C)c1
InChIInChI=1S/C18H24O/c1-3-7-16-8-9-17(15(2)14-16)10-13-18(19)11-5-4-6-12-18/h8-9,14,19H,3-7,11-12H2,1-2H3
InChIKeyUOWSRAJJHHJTJO-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.99
Rot. Bonds2

About 1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol

1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol (PubChem CID 143366321) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol
PubChem CID143366321
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol
SMILESCCCc1ccc(C#CC2(O)CCCCC2)c(C)c1
InChIInChI=1S/C18H24O/c1-3-7-16-8-9-17(15(2)14-16)10-13-18(19)11-5-4-6-12-18/h8-9,14,19H,3-7,11-12H2,1-2H3
InChIKeyUOWSRAJJHHJTJO-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(Phenylethynyl)-1-cyclohexanol
CID 593776
Hydroxychlorobactene
CID 10099075
Occidol
CID 11020369
2-[(2R)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-ol
CID 10998493
(1R)-3,5,5-trimethyl-4-[(3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,3,4-trimethylphenyl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol
CID 163024528
2-[(2S)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-ol
CID 12313656
(E)-2,8-dimethyl-9-naphthalen-1-ylnon-5-en-3-yn-2-ol
CID 9971604
2-methyl-4-(2,5,5-trimethyl-7,8-dihydro-6H-naphthalen-1-yl)butan-2-ol
CID 145986547
2-[(2R)-7,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-ol
CID 15601433
2-[(2R)-5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-ol
CID 15601435
1-[2-[(2R)-but-3-en-2-yl]-5-methylphenyl]-2-methylpropan-2-ol
CID 162998634
2,6,10,14,19,23-Hexamethyl-25-(2,3,6-trimethylphenyl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-2-ol
CID 163014925

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol (CID 143366321) is 1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol is CCCc1ccc(C#CC2(O)CCCCC2)c(C)c1.
What is the InChIKey of 1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol?
The InChIKey is UOWSRAJJHHJTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O/c1-3-7-16-8-9-17(15(2)14-16)10-13-18(19)11-5-4-6-12-18/h8-9,14,19H,3-7,11-12H2,1-2H3.
What are the key properties of 1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol?
1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol has a molecular weight of 256.39 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol is sourced from PubChem (CID 143366321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).