2-ethyl-1-(3-methoxy-4-methylphenyl)cyclopropan-1-ol

C13H18O2 — CID 79333625

IUPAC2-ethyl-1-(3-methoxy-4-methylphenyl)cyclopropan-1-ol
SMILESCCC1CC1(O)c1ccc(C)c(OC)c1
InChIInChI=1S/C13H18O2/c1-4-10-8-13(10,14)11-6-5-9(2)12(7-11)15-3/h5-7,10,14H,4,8H2,1-3H3
InChIKeyNMZIKVURRLPZRL-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.62
Rot. Bonds3

About 2-ethyl-1-(3-methoxy-4-methylphenyl)cyclopropan-1-ol

2-ethyl-1-(3-methoxy-4-methylphenyl)cyclopropan-1-ol (PubChem CID 79333625) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-ethyl-1-(3-methoxy-4-methylphenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-(3-methoxy-4-methylphenyl)cyclopropan-1-ol
PubChem CID79333625
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-ethyl-1-(3-methoxy-4-methylphenyl)cyclopropan-1-ol
SMILESCCC1CC1(O)c1ccc(C)c(OC)c1
InChIInChI=1S/C13H18O2/c1-4-10-8-13(10,14)11-6-5-9(2)12(7-11)15-3/h5-7,10,14H,4,8H2,1-3H3
InChIKeyNMZIKVURRLPZRL-UHFFFAOYSA-N
XLogP2.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(4-methoxyphenyl)cyclopropan-1-ol
CID 79332791
1-[3-ethyl-1-(3-methoxy-4-methylphenyl)cyclobutyl]-N-methylmethanamine
CID 64998176
3-(3-methoxy-4-methylphenyl)azetidin-3-ol
CID 130052049
1-(3-bromo-4-methylphenyl)-2-propylcyclopropan-1-ol
CID 81488604
4-(1-butan-2-ylcyclopropyl)-2-methoxy-1-methylbenzene
CID 171099345
1-(3,4-dimethoxyphenyl)-2-ethylcyclopropan-1-amine
CID 79333872
1-(2,4-dimethylphenyl)-2-ethylcyclopropan-1-ol
CID 79332918
4-(3,4-dimethylphenyl)-3-ethylpiperidin-4-ol
CID 114510413
N-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]ethanamine
CID 62595893
1-(3-chloro-5-methylphenyl)-2-ethylcyclopropan-1-ol
CID 81324159
1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 16770133
1-(3-bromo-5-chlorophenyl)-2-ethylcyclopropan-1-ol
CID 107957835

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-methoxy-4-methylphenyl)cyclopropan-1-ol?
The IUPAC name of 2-ethyl-1-(3-methoxy-4-methylphenyl)cyclopropan-1-ol (CID 79333625) is 2-ethyl-1-(3-methoxy-4-methylphenyl)cyclopropan-1-ol.
What is the SMILES notation for 2-ethyl-1-(3-methoxy-4-methylphenyl)cyclopropan-1-ol?
The canonical SMILES for 2-ethyl-1-(3-methoxy-4-methylphenyl)cyclopropan-1-ol is CCC1CC1(O)c1ccc(C)c(OC)c1.
What is the InChIKey of 2-ethyl-1-(3-methoxy-4-methylphenyl)cyclopropan-1-ol?
The InChIKey is NMZIKVURRLPZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-4-10-8-13(10,14)11-6-5-9(2)12(7-11)15-3/h5-7,10,14H,4,8H2,1-3H3.
What are the key properties of 2-ethyl-1-(3-methoxy-4-methylphenyl)cyclopropan-1-ol?
2-ethyl-1-(3-methoxy-4-methylphenyl)cyclopropan-1-ol has a molecular weight of 206.28 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-methoxy-4-methylphenyl)cyclopropan-1-ol is sourced from PubChem (CID 79333625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).