2-methyl-1-[2-(3-methylphenoxy)ethyl]cyclopropan-1-ol

C13H18O2 — CID 79333712

IUPAC2-methyl-1-[2-(3-methylphenoxy)ethyl]cyclopropan-1-ol
SMILESCc1cccc(OCCC2(O)CC2C)c1
InChIInChI=1S/C13H18O2/c1-10-4-3-5-12(8-10)15-7-6-13(14)9-11(13)2/h3-5,8,11,14H,6-7,9H2,1-2H3
InChIKeyOHNRVYWVRNKRSP-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.53
Rot. Bonds4

About 2-methyl-1-[2-(3-methylphenoxy)ethyl]cyclopropan-1-ol

2-methyl-1-[2-(3-methylphenoxy)ethyl]cyclopropan-1-ol (PubChem CID 79333712) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-methyl-1-[2-(3-methylphenoxy)ethyl]cyclopropan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[2-(3-methylphenoxy)ethyl]cyclopropan-1-ol
PubChem CID79333712
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name2-methyl-1-[2-(3-methylphenoxy)ethyl]cyclopropan-1-ol
SMILESCc1cccc(OCCC2(O)CC2C)c1
InChIInChI=1S/C13H18O2/c1-10-4-3-5-12(8-10)15-7-6-13(14)9-11(13)2/h3-5,8,11,14H,6-7,9H2,1-2H3
InChIKeyOHNRVYWVRNKRSP-UHFFFAOYSA-N
XLogP2.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 82086841
(3S,5S)-3,5-dimethyl-1-[2-(3-methylphenoxy)ethyl]piperidin-1-ium
CID 7410808
1-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]cyclopentan-1-ol
CID 115669684
2,4,4-trimethyl-N-[2-(3-methylphenoxy)ethyl]cyclopentan-1-amine
CID 106662415
1-(3-iodopropoxy)-3-methylbenzene
CID 64788353
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(3-methylphenoxy)propanamide
CID 114758920
1-amino-2-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 79586482
1-methoxy-4-[2-(3-methylphenoxy)ethoxy]benzene
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CID 154641822

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(3-methylphenoxy)ethyl]cyclopropan-1-ol?
The IUPAC name of 2-methyl-1-[2-(3-methylphenoxy)ethyl]cyclopropan-1-ol (CID 79333712) is 2-methyl-1-[2-(3-methylphenoxy)ethyl]cyclopropan-1-ol.
What is the SMILES notation for 2-methyl-1-[2-(3-methylphenoxy)ethyl]cyclopropan-1-ol?
The canonical SMILES for 2-methyl-1-[2-(3-methylphenoxy)ethyl]cyclopropan-1-ol is Cc1cccc(OCCC2(O)CC2C)c1.
What is the InChIKey of 2-methyl-1-[2-(3-methylphenoxy)ethyl]cyclopropan-1-ol?
The InChIKey is OHNRVYWVRNKRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10-4-3-5-12(8-10)15-7-6-13(14)9-11(13)2/h3-5,8,11,14H,6-7,9H2,1-2H3.
What are the key properties of 2-methyl-1-[2-(3-methylphenoxy)ethyl]cyclopropan-1-ol?
2-methyl-1-[2-(3-methylphenoxy)ethyl]cyclopropan-1-ol has a molecular weight of 206.29 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(3-methylphenoxy)ethyl]cyclopropan-1-ol is sourced from PubChem (CID 79333712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).