1-[(3-methyl-4-propan-2-ylphenoxy)methyl]cyclopentan-1-ol

C16H24O2 — CID 65212688

IUPAC1-[(3-methyl-4-propan-2-ylphenoxy)methyl]cyclopentan-1-ol
SMILESCc1cc(OCC2(O)CCCC2)ccc1C(C)C
InChIInChI=1S/C16H24O2/c1-12(2)15-7-6-14(10-13(15)3)18-11-16(17)8-4-5-9-16/h6-7,10,12,17H,4-5,8-9,11H2,1-3H3
InChIKeyLAASIRAFMKRVEH-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.80
Rot. Bonds4

About 1-[(3-methyl-4-propan-2-ylphenoxy)methyl]cyclopentan-1-ol

1-[(3-methyl-4-propan-2-ylphenoxy)methyl]cyclopentan-1-ol (PubChem CID 65212688) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[(3-methyl-4-propan-2-ylphenoxy)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(3-methyl-4-propan-2-ylphenoxy)methyl]cyclopentan-1-ol
PubChem CID65212688
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-[(3-methyl-4-propan-2-ylphenoxy)methyl]cyclopentan-1-ol
SMILESCc1cc(OCC2(O)CCCC2)ccc1C(C)C
InChIInChI=1S/C16H24O2/c1-12(2)15-7-6-14(10-13(15)3)18-11-16(17)8-4-5-9-16/h6-7,10,12,17H,4-5,8-9,11H2,1-3H3
InChIKeyLAASIRAFMKRVEH-UHFFFAOYSA-N
XLogP3.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1-hydroxycyclopentyl)methoxy]-2-methylbenzoic acid
CID 107671203
1-(naphthalen-2-yloxymethyl)cyclohexan-1-ol
CID 65213943
3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol
CID 43509991
1-[(2-propan-2-ylphenoxy)methyl]cyclopentan-1-ol
CID 65213064
1-[[4-[(1R)-1-aminoethyl]phenoxy]methyl]cyclohexan-1-ol
CID 79004891
1-[(3-methoxyphenoxy)methyl]cyclohexan-1-ol
CID 65213494
1-[[3-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclopentan-1-ol
CID 65212811
N-cyclopentyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 134007945
3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 42988993
1-[(3-propoxyphenoxy)methyl]cyclopentan-1-ol
CID 69097510
1-[[3-(1-aminoethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208420
1-[[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 82001257

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-4-propan-2-ylphenoxy)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(3-methyl-4-propan-2-ylphenoxy)methyl]cyclopentan-1-ol (CID 65212688) is 1-[(3-methyl-4-propan-2-ylphenoxy)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(3-methyl-4-propan-2-ylphenoxy)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(3-methyl-4-propan-2-ylphenoxy)methyl]cyclopentan-1-ol is Cc1cc(OCC2(O)CCCC2)ccc1C(C)C.
What is the InChIKey of 1-[(3-methyl-4-propan-2-ylphenoxy)methyl]cyclopentan-1-ol?
The InChIKey is LAASIRAFMKRVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-12(2)15-7-6-14(10-13(15)3)18-11-16(17)8-4-5-9-16/h6-7,10,12,17H,4-5,8-9,11H2,1-3H3.
What are the key properties of 1-[(3-methyl-4-propan-2-ylphenoxy)methyl]cyclopentan-1-ol?
1-[(3-methyl-4-propan-2-ylphenoxy)methyl]cyclopentan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-4-propan-2-ylphenoxy)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65212688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).