1-cyclopropyl-1-(3-ethoxyphenyl)ethanol

C13H18O2 — CID 58452037

IUPAC1-cyclopropyl-1-(3-ethoxyphenyl)ethanol
SMILESCCOc1cccc(C(C)(O)C2CC2)c1
InChIInChI=1S/C13H18O2/c1-3-15-12-6-4-5-11(9-12)13(2,14)10-7-8-10/h4-6,9-10,14H,3,7-8H2,1-2H3
InChIKeyXBRLTESYVKYNFL-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.70
Rot. Bonds4

About 1-cyclopropyl-1-(3-ethoxyphenyl)ethanol

1-cyclopropyl-1-(3-ethoxyphenyl)ethanol (PubChem CID 58452037) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-cyclopropyl-1-(3-ethoxyphenyl)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-1-(3-ethoxyphenyl)ethanol
PubChem CID58452037
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-cyclopropyl-1-(3-ethoxyphenyl)ethanol
SMILESCCOc1cccc(C(C)(O)C2CC2)c1
InChIInChI=1S/C13H18O2/c1-3-15-12-6-4-5-11(9-12)13(2,14)10-7-8-10/h4-6,9-10,14H,3,7-8H2,1-2H3
InChIKeyXBRLTESYVKYNFL-UHFFFAOYSA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-ethoxyphenyl)butan-2-ol
CID 97048472
(2S)-2-(3-ethoxyphenyl)pentan-2-ol
CID 97048517
1-(3-ethoxyphenyl)-1-phenylethanol
CID 58452058
1-(3-tert-butylphenyl)-1-cyclopropylethanol
CID 91657928
2-[3-(cyclopropylmethoxy)phenyl]propan-2-ol
CID 84674408
(1S)-1-cyclopropyl-1-(3-methylphenyl)ethanol
CID 93311992
(3-ethoxyphenyl)methanetriamine
CID 142802456
1-cyclohexyl-1-(3-propan-2-yloxyphenyl)ethanol
CID 114794965
1-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)benzene
CID 141126419
1-[3-(aminomethyl)phenyl]-1-cyclopropylethanol
CID 115018710
1-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol
CID 141350221
1-(3-cyclobutylphenyl)-1-cyclopropylethanol
CID 114601106

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(3-ethoxyphenyl)ethanol?
The IUPAC name of 1-cyclopropyl-1-(3-ethoxyphenyl)ethanol (CID 58452037) is 1-cyclopropyl-1-(3-ethoxyphenyl)ethanol.
What is the SMILES notation for 1-cyclopropyl-1-(3-ethoxyphenyl)ethanol?
The canonical SMILES for 1-cyclopropyl-1-(3-ethoxyphenyl)ethanol is CCOc1cccc(C(C)(O)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-1-(3-ethoxyphenyl)ethanol?
The InChIKey is XBRLTESYVKYNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-15-12-6-4-5-11(9-12)13(2,14)10-7-8-10/h4-6,9-10,14H,3,7-8H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-(3-ethoxyphenyl)ethanol?
1-cyclopropyl-1-(3-ethoxyphenyl)ethanol has a molecular weight of 206.28 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(3-ethoxyphenyl)ethanol is sourced from PubChem (CID 58452037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).