[1-[(4-tert-butylphenyl)methyl]cyclopentyl]methanol

C17H26O — CID 66026781

IUPAC[1-[(4-tert-butylphenyl)methyl]cyclopentyl]methanol
SMILESCC(C)(C)c1ccc(CC2(CO)CCCC2)cc1
InChIInChI=1S/C17H26O/c1-16(2,3)15-8-6-14(7-9-15)12-17(13-18)10-4-5-11-17/h6-9,18H,4-5,10-13H2,1-3H3
InChIKeyRYUMXHARMONFAU-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.08
Rot. Bonds3

About [1-[(4-tert-butylphenyl)methyl]cyclopentyl]methanol

[1-[(4-tert-butylphenyl)methyl]cyclopentyl]methanol (PubChem CID 66026781) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is [1-[(4-tert-butylphenyl)methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(4-tert-butylphenyl)methyl]cyclopentyl]methanol
PubChem CID66026781
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name[1-[(4-tert-butylphenyl)methyl]cyclopentyl]methanol
SMILESCC(C)(C)c1ccc(CC2(CO)CCCC2)cc1
InChIInChI=1S/C17H26O/c1-16(2,3)15-8-6-14(7-9-15)12-17(13-18)10-4-5-11-17/h6-9,18H,4-5,10-13H2,1-3H3
InChIKeyRYUMXHARMONFAU-UHFFFAOYSA-N
XLogP4.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzenepropanol
CID 31234
2-Phenyl-1-propanol
CID 14295
5-Phenyl-1-pentanol
CID 61523
Phenylisohexanol
CID 108312
1-Phenyl-2-pentanol
CID 61202
Dimethyl phenylbutanol
CID 99870
2-Methyl-4-phenyl-1-pentanol
CID 3021997
p-tert-Butylphenethyl alcohol
CID 79410
2-Benzylheptan-1-ol
CID 64916
Benzeneethanol, 4-(1-methylethyl)-
CID 82349
2,2-Dimethyl-3-phenylpropanol
CID 83367
Majantol
CID 175948

Frequently Asked Questions

What is the IUPAC name of [1-[(4-tert-butylphenyl)methyl]cyclopentyl]methanol?
The IUPAC name of [1-[(4-tert-butylphenyl)methyl]cyclopentyl]methanol (CID 66026781) is [1-[(4-tert-butylphenyl)methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[(4-tert-butylphenyl)methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[(4-tert-butylphenyl)methyl]cyclopentyl]methanol is CC(C)(C)c1ccc(CC2(CO)CCCC2)cc1.
What is the InChIKey of [1-[(4-tert-butylphenyl)methyl]cyclopentyl]methanol?
The InChIKey is RYUMXHARMONFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-16(2,3)15-8-6-14(7-9-15)12-17(13-18)10-4-5-11-17/h6-9,18H,4-5,10-13H2,1-3H3.
What are the key properties of [1-[(4-tert-butylphenyl)methyl]cyclopentyl]methanol?
[1-[(4-tert-butylphenyl)methyl]cyclopentyl]methanol has a molecular weight of 246.39 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-tert-butylphenyl)methyl]cyclopentyl]methanol is sourced from PubChem (CID 66026781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).