1-[(4-tert-butyl-2-methylphenoxy)methyl]cyclopentan-1-ol

C17H26O2 — CID 65213115

IUPAC1-[(4-tert-butyl-2-methylphenoxy)methyl]cyclopentan-1-ol
SMILESCc1cc(C(C)(C)C)ccc1OCC1(O)CCCC1
InChIInChI=1S/C17H26O2/c1-13-11-14(16(2,3)4)7-8-15(13)19-12-17(18)9-5-6-10-17/h7-8,11,18H,5-6,9-10,12H2,1-4H3
InChIKeyAAQILSJFKABURO-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.98
Rot. Bonds3

About 1-[(4-tert-butyl-2-methylphenoxy)methyl]cyclopentan-1-ol

1-[(4-tert-butyl-2-methylphenoxy)methyl]cyclopentan-1-ol (PubChem CID 65213115) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-[(4-tert-butyl-2-methylphenoxy)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(4-tert-butyl-2-methylphenoxy)methyl]cyclopentan-1-ol
PubChem CID65213115
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-[(4-tert-butyl-2-methylphenoxy)methyl]cyclopentan-1-ol
SMILESCc1cc(C(C)(C)C)ccc1OCC1(O)CCCC1
InChIInChI=1S/C17H26O2/c1-13-11-14(16(2,3)4)7-8-15(13)19-12-17(18)9-5-6-10-17/h7-8,11,18H,5-6,9-10,12H2,1-4H3
InChIKeyAAQILSJFKABURO-UHFFFAOYSA-N
XLogP3.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(1-hydroxycyclopentyl)methoxy]-3-methylphenyl]ethanone
CID 112548755
1-[[4-[(1S)-1-aminoethyl]-2-methylphenoxy]methyl]cyclopentan-1-ol
CID 113386912
2-[1-[(4-tert-butyl-2-methylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65495309
1-[(2,3,5-trimethylphenoxy)methyl]cyclopentan-1-ol
CID 65212527
2-(4-tert-butyl-2-methylphenoxy)-N-[2-[[2-(4-tert-butyl-2-methylphenoxy)acetyl]amino]ethyl]acetamide
CID 5014874
1-[(5-chloro-2-methylphenoxy)methyl]cyclobutan-1-ol
CID 167839312
1-[2-[(1-hydroxycyclopentyl)methoxy]-5-methylphenyl]ethanone
CID 65210652
1-(4-tert-butyl-2-methylphenoxy)-3,3-dimethylbutan-2-ol
CID 63467018
4-tert-butyl-1-but-3-ynoxy-2-methylbenzene
CID 55248880
1-[(2,3-dimethylphenoxy)methyl]cyclobutan-1-ol
CID 155896822
1-[[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol
CID 65213913
2-(4-tert-butyl-2-methylphenoxy)-N-(2-hydroxyethyl)acetamide
CID 43416535

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butyl-2-methylphenoxy)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(4-tert-butyl-2-methylphenoxy)methyl]cyclopentan-1-ol (CID 65213115) is 1-[(4-tert-butyl-2-methylphenoxy)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(4-tert-butyl-2-methylphenoxy)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(4-tert-butyl-2-methylphenoxy)methyl]cyclopentan-1-ol is Cc1cc(C(C)(C)C)ccc1OCC1(O)CCCC1.
What is the InChIKey of 1-[(4-tert-butyl-2-methylphenoxy)methyl]cyclopentan-1-ol?
The InChIKey is AAQILSJFKABURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-13-11-14(16(2,3)4)7-8-15(13)19-12-17(18)9-5-6-10-17/h7-8,11,18H,5-6,9-10,12H2,1-4H3.
What are the key properties of 1-[(4-tert-butyl-2-methylphenoxy)methyl]cyclopentan-1-ol?
1-[(4-tert-butyl-2-methylphenoxy)methyl]cyclopentan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butyl-2-methylphenoxy)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65213115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).