1-[1-(3-benzyl-2-tert-butylphenyl)ethyl]cyclopentan-1-ol

C24H32O — CID 173253910

IUPAC1-[1-(3-benzyl-2-tert-butylphenyl)ethyl]cyclopentan-1-ol
SMILESCC(c1cccc(Cc2ccccc2)c1C(C)(C)C)C1(O)CCCC1
InChIInChI=1S/C24H32O/c1-18(24(25)15-8-9-16-24)21-14-10-13-20(22(21)23(2,3)4)17-19-11-6-5-7-12-19/h5-7,10-14,18,25H,8-9,15-17H2,1-4H3
InChIKeyXKYRJEXGSILNQB-UHFFFAOYSA-N
MW336.52 g/mol
LogP5.98
Rot. Bonds4

About 1-[1-(3-benzyl-2-tert-butylphenyl)ethyl]cyclopentan-1-ol

1-[1-(3-benzyl-2-tert-butylphenyl)ethyl]cyclopentan-1-ol (PubChem CID 173253910) has the molecular formula C24H32O and a molecular weight of 336.52 g/mol. Its IUPAC name is 1-[1-(3-benzyl-2-tert-butylphenyl)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[1-(3-benzyl-2-tert-butylphenyl)ethyl]cyclopentan-1-ol
PubChem CID173253910
Molecular FormulaC24H32O
Molecular Weight336.52 g/mol
Exact Mass336.25
IUPAC Name1-[1-(3-benzyl-2-tert-butylphenyl)ethyl]cyclopentan-1-ol
SMILESCC(c1cccc(Cc2ccccc2)c1C(C)(C)C)C1(O)CCCC1
InChIInChI=1S/C24H32O/c1-18(24(25)15-8-9-16-24)21-14-10-13-20(22(21)23(2,3)4)17-19-11-6-5-7-12-19/h5-7,10-14,18,25H,8-9,15-17H2,1-4H3
InChIKeyXKYRJEXGSILNQB-UHFFFAOYSA-N
XLogP5.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-benzyl-2-tert-butylphenol
CID 154096643
1-benzyl-2-tert-butyl-3-(3-methyl-1-phenylpentan-2-yl)benzene
CID 173254027
1-benzyl-2-propan-2-ylbenzene
CID 13215617
N-[2-[(1R)-1-(1-hydroxycyclohexyl)ethyl]phenyl]-2,2-dimethylpropanamide
CID 15274526
1-(1-hydroxy-3-phenylpropyl)cyclopentan-1-ol
CID 103448481
1-(1-amino-2-phenylethyl)cyclopentan-1-ol
CID 19702313
3-(2-benzylphenyl)-2-oxobutanoic acid
CID 70588375
1-[1-(3-fluorophenyl)ethyl]cyclopentan-1-ol
CID 144756929
1-[hydroxy-[3-(2-methylpropyl)phenyl]methyl]cyclohexan-1-ol
CID 103451727
N,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-phenylethyl]-2,2-dimethylpropanediamide
CID 69006898
1-[1-(benzenesulfonyl)propan-2-yl]cyclopentan-1-ol
CID 18985953
2-benzyl-N-propan-2-ylaniline
CID 13262632

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-benzyl-2-tert-butylphenyl)ethyl]cyclopentan-1-ol?
The IUPAC name of 1-[1-(3-benzyl-2-tert-butylphenyl)ethyl]cyclopentan-1-ol (CID 173253910) is 1-[1-(3-benzyl-2-tert-butylphenyl)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[1-(3-benzyl-2-tert-butylphenyl)ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-[1-(3-benzyl-2-tert-butylphenyl)ethyl]cyclopentan-1-ol is CC(c1cccc(Cc2ccccc2)c1C(C)(C)C)C1(O)CCCC1.
What is the InChIKey of 1-[1-(3-benzyl-2-tert-butylphenyl)ethyl]cyclopentan-1-ol?
The InChIKey is XKYRJEXGSILNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O/c1-18(24(25)15-8-9-16-24)21-14-10-13-20(22(21)23(2,3)4)17-19-11-6-5-7-12-19/h5-7,10-14,18,25H,8-9,15-17H2,1-4H3.
What are the key properties of 1-[1-(3-benzyl-2-tert-butylphenyl)ethyl]cyclopentan-1-ol?
1-[1-(3-benzyl-2-tert-butylphenyl)ethyl]cyclopentan-1-ol has a molecular weight of 336.52 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-benzyl-2-tert-butylphenyl)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 173253910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).