1-[[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropan-1-ol

C17H24O2 — CID 117405442

IUPAC1-[[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropan-1-ol
SMILESCc1cc(C)c(OCC2CCC2)c(CC2(O)CC2)c1
InChIInChI=1S/C17H24O2/c1-12-8-13(2)16(19-11-14-4-3-5-14)15(9-12)10-17(18)6-7-17/h8-9,14,18H,3-7,10-11H2,1-2H3
InChIKeyMZAGPDMCXUZSLH-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.55
Rot. Bonds5

About 1-[[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropan-1-ol

1-[[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropan-1-ol (PubChem CID 117405442) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropan-1-ol
PubChem CID117405442
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1-[[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropan-1-ol
SMILESCc1cc(C)c(OCC2CCC2)c(CC2(O)CC2)c1
InChIInChI=1S/C17H24O2/c1-12-8-13(2)16(19-11-14-4-3-5-14)15(9-12)10-17(18)6-7-17/h8-9,14,18H,3-7,10-11H2,1-2H3
InChIKeyMZAGPDMCXUZSLH-UHFFFAOYSA-N
XLogP3.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclobutylmethoxy)-3,5-dimethylphenol
CID 84674450
N-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]hydroxylamine
CID 117316662
1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol
CID 117374422
1-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]cyclohexan-1-amine
CID 117464161
2-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperidine
CID 117436647
[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methanol
CID 112621165
[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methanol
CID 65457601
3-chloro-2-(cyclobutylmethoxy)-5-methylphenol
CID 84690826
4-(cyclohexylmethoxy)-3,5-dimethylbenzoic acid
CID 43117999
1-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperazine
CID 117438814
2-[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]-2-oxoacetic acid
CID 117373340
5-(chloromethyl)-2-(cyclobutylmethoxy)-1,3-dimethylbenzene
CID 65460366

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropan-1-ol (CID 117405442) is 1-[[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropan-1-ol is Cc1cc(C)c(OCC2CCC2)c(CC2(O)CC2)c1.
What is the InChIKey of 1-[[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropan-1-ol?
The InChIKey is MZAGPDMCXUZSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-12-8-13(2)16(19-11-14-4-3-5-14)15(9-12)10-17(18)6-7-17/h8-9,14,18H,3-7,10-11H2,1-2H3.
What are the key properties of 1-[[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropan-1-ol?
1-[[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropan-1-ol has a molecular weight of 260.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 117405442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).