1-[(3-ethyl-2-methoxy-6-propan-2-ylphenyl)methyl]cyclopropan-1-ol

C16H24O2 — CID 117374425

IUPAC1-[(3-ethyl-2-methoxy-6-propan-2-ylphenyl)methyl]cyclopropan-1-ol
SMILESCCc1ccc(C(C)C)c(CC2(O)CC2)c1OC
InChIInChI=1S/C16H24O2/c1-5-12-6-7-13(11(2)3)14(15(12)18-4)10-16(17)8-9-16/h6-7,11,17H,5,8-10H2,1-4H3
InChIKeyIJPXXYKPXJDKRU-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.45
Rot. Bonds5

About 1-[(3-ethyl-2-methoxy-6-propan-2-ylphenyl)methyl]cyclopropan-1-ol

1-[(3-ethyl-2-methoxy-6-propan-2-ylphenyl)methyl]cyclopropan-1-ol (PubChem CID 117374425) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[(3-ethyl-2-methoxy-6-propan-2-ylphenyl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(3-ethyl-2-methoxy-6-propan-2-ylphenyl)methyl]cyclopropan-1-ol
PubChem CID117374425
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-[(3-ethyl-2-methoxy-6-propan-2-ylphenyl)methyl]cyclopropan-1-ol
SMILESCCc1ccc(C(C)C)c(CC2(O)CC2)c1OC
InChIInChI=1S/C16H24O2/c1-5-12-6-7-13(11(2)3)14(15(12)18-4)10-16(17)8-9-16/h6-7,11,17H,5,8-10H2,1-4H3
InChIKeyIJPXXYKPXJDKRU-UHFFFAOYSA-N
XLogP3.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)ethanol
CID 117318734
1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutane-1-carboxylic acid
CID 117442709
3-ethyl-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
CID 117318322
[1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117408717
1-ethyl-2-methoxy-4-propan-2-yl-3-(trifluoromethyl)benzene
CID 176934964
3-ethyl-2-methoxy-6-propan-2-ylbenzonitrile
CID 117291786
1-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol
CID 117379471
1-[(2,3,4-trimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117349180
1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-one
CID 117374493
3-amino-1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propan-1-one
CID 117377360
1-[(5-chloro-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol
CID 117322636
3-cyclopropyl-3-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propanoic acid
CID 117469299

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-2-methoxy-6-propan-2-ylphenyl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(3-ethyl-2-methoxy-6-propan-2-ylphenyl)methyl]cyclopropan-1-ol (CID 117374425) is 1-[(3-ethyl-2-methoxy-6-propan-2-ylphenyl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(3-ethyl-2-methoxy-6-propan-2-ylphenyl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(3-ethyl-2-methoxy-6-propan-2-ylphenyl)methyl]cyclopropan-1-ol is CCc1ccc(C(C)C)c(CC2(O)CC2)c1OC.
What is the InChIKey of 1-[(3-ethyl-2-methoxy-6-propan-2-ylphenyl)methyl]cyclopropan-1-ol?
The InChIKey is IJPXXYKPXJDKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-5-12-6-7-13(11(2)3)14(15(12)18-4)10-16(17)8-9-16/h6-7,11,17H,5,8-10H2,1-4H3.
What are the key properties of 1-[(3-ethyl-2-methoxy-6-propan-2-ylphenyl)methyl]cyclopropan-1-ol?
1-[(3-ethyl-2-methoxy-6-propan-2-ylphenyl)methyl]cyclopropan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-2-methoxy-6-propan-2-ylphenyl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117374425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).