3-cyclopentyl-1-[4-(2-methylpropyl)phenyl]propan-1-ol

C18H28O — CID 63427885

IUPAC3-cyclopentyl-1-[4-(2-methylpropyl)phenyl]propan-1-ol
SMILESCC(C)Cc1ccc(C(O)CCC2CCCC2)cc1
InChIInChI=1S/C18H28O/c1-14(2)13-16-7-10-17(11-8-16)18(19)12-9-15-5-3-4-6-15/h7-8,10-11,14-15,18-19H,3-6,9,12-13H2,1-2H3
InChIKeyLQAUSNZRSUPKDE-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.89
Rot. Bonds6

About 3-cyclopentyl-1-[4-(2-methylpropyl)phenyl]propan-1-ol

3-cyclopentyl-1-[4-(2-methylpropyl)phenyl]propan-1-ol (PubChem CID 63427885) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-(2-methylpropyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-(2-methylpropyl)phenyl]propan-1-ol
PubChem CID63427885
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name3-cyclopentyl-1-[4-(2-methylpropyl)phenyl]propan-1-ol
SMILESCC(C)Cc1ccc(C(O)CCC2CCCC2)cc1
InChIInChI=1S/C18H28O/c1-14(2)13-16-7-10-17(11-8-16)18(19)12-9-15-5-3-4-6-15/h7-8,10-11,14-15,18-19H,3-6,9,12-13H2,1-2H3
InChIKeyLQAUSNZRSUPKDE-UHFFFAOYSA-N
XLogP4.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-3-cyclohexylpropan-1-ol
CID 55197705
2-cycloheptyloxy-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63466664
cyclobutyl-[4-(2-methylpropyl)phenyl]methanol
CID 61099131
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 115561346
1-[4-(2-methylpropyl)phenyl]-3-pyrrolidin-1-ylpropan-1-ol
CID 112510765
2-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60981654
2-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]cyclohexan-1-ol
CID 62358372
[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]cycloheptane
CID 114458629
2-[cyclopropylmethyl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 54949285
1-(4-aminophenyl)-3-cyclopropylpropan-1-ol
CID 106695552
1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol
CID 60903668
3-ethoxy-1-[4-(2-methylpropyl)phenyl]propan-1-ol
CID 54122472

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-(2-methylpropyl)phenyl]propan-1-ol?
The IUPAC name of 3-cyclopentyl-1-[4-(2-methylpropyl)phenyl]propan-1-ol (CID 63427885) is 3-cyclopentyl-1-[4-(2-methylpropyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-cyclopentyl-1-[4-(2-methylpropyl)phenyl]propan-1-ol?
The canonical SMILES for 3-cyclopentyl-1-[4-(2-methylpropyl)phenyl]propan-1-ol is CC(C)Cc1ccc(C(O)CCC2CCCC2)cc1.
What is the InChIKey of 3-cyclopentyl-1-[4-(2-methylpropyl)phenyl]propan-1-ol?
The InChIKey is LQAUSNZRSUPKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-14(2)13-16-7-10-17(11-8-16)18(19)12-9-15-5-3-4-6-15/h7-8,10-11,14-15,18-19H,3-6,9,12-13H2,1-2H3.
What are the key properties of 3-cyclopentyl-1-[4-(2-methylpropyl)phenyl]propan-1-ol?
3-cyclopentyl-1-[4-(2-methylpropyl)phenyl]propan-1-ol has a molecular weight of 260.42 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-(2-methylpropyl)phenyl]propan-1-ol is sourced from PubChem (CID 63427885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).