1-[(2,3,5-trimethylphenoxy)methyl]cyclopentan-1-ol

C15H22O2 — CID 65212527

IUPAC1-[(2,3,5-trimethylphenoxy)methyl]cyclopentan-1-ol
SMILESCc1cc(C)c(C)c(OCC2(O)CCCC2)c1
InChIInChI=1S/C15H22O2/c1-11-8-12(2)13(3)14(9-11)17-10-15(16)6-4-5-7-15/h8-9,16H,4-7,10H2,1-3H3
InChIKeyAODFUIGCRUWVCC-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.30
Rot. Bonds3

About 1-[(2,3,5-trimethylphenoxy)methyl]cyclopentan-1-ol

1-[(2,3,5-trimethylphenoxy)methyl]cyclopentan-1-ol (PubChem CID 65212527) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[(2,3,5-trimethylphenoxy)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(2,3,5-trimethylphenoxy)methyl]cyclopentan-1-ol
PubChem CID65212527
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-[(2,3,5-trimethylphenoxy)methyl]cyclopentan-1-ol
SMILESCc1cc(C)c(C)c(OCC2(O)CCCC2)c1
InChIInChI=1S/C15H22O2/c1-11-8-12(2)13(3)14(9-11)17-10-15(16)6-4-5-7-15/h8-9,16H,4-7,10H2,1-3H3
InChIKeyAODFUIGCRUWVCC-UHFFFAOYSA-N
XLogP3.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-hydroxycyclobutyl)methyl]-3-(2,3,5-trimethylphenoxy)propanamide
CID 111539630
1-[(2,3-dimethylphenoxy)methyl]cyclobutan-1-ol
CID 155896822
4-cyclobutyl-6-[(2,3,5-trimethylphenoxy)methyl]-1,4-oxazepan-6-ol
CID 132948445
1-[(4-tert-butyl-2-methylphenoxy)methyl]cyclopentan-1-ol
CID 65213115
4-cyclohexyl-6-[(2,3,5-trimethylphenoxy)methyl]-1,4-oxazepan-6-ol
CID 132764766
1-[[2-[(1S)-1-aminoethyl]-5-methylphenoxy]methyl]cyclopentan-1-ol
CID 79004921
1-[2-[(1-hydroxycyclopentyl)methoxy]-5-methylphenyl]ethanone
CID 65210652
1-[4-[(1-hydroxycyclopentyl)methoxy]-3-methylphenyl]ethanone
CID 112548755
1-[(5-chloro-2-methylphenoxy)methyl]cyclobutan-1-ol
CID 167839312
1-[[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol
CID 65213913
1-[[4-[(1S)-1-aminoethyl]-2-methylphenoxy]methyl]cyclopentan-1-ol
CID 113386912
1-[[2-[(1S)-1-aminoethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol
CID 79004887

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3,5-trimethylphenoxy)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(2,3,5-trimethylphenoxy)methyl]cyclopentan-1-ol (CID 65212527) is 1-[(2,3,5-trimethylphenoxy)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(2,3,5-trimethylphenoxy)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(2,3,5-trimethylphenoxy)methyl]cyclopentan-1-ol is Cc1cc(C)c(C)c(OCC2(O)CCCC2)c1.
What is the InChIKey of 1-[(2,3,5-trimethylphenoxy)methyl]cyclopentan-1-ol?
The InChIKey is AODFUIGCRUWVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-11-8-12(2)13(3)14(9-11)17-10-15(16)6-4-5-7-15/h8-9,16H,4-7,10H2,1-3H3.
What are the key properties of 1-[(2,3,5-trimethylphenoxy)methyl]cyclopentan-1-ol?
1-[(2,3,5-trimethylphenoxy)methyl]cyclopentan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3,5-trimethylphenoxy)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65212527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).