3-[2-(3-ethyloxiran-2-yl)propyl]phenol

C13H18O2 — CID 83930339

IUPAC3-[2-(3-ethyloxiran-2-yl)propyl]phenol
SMILESCCC1OC1C(C)Cc1cccc(O)c1
InChIInChI=1S/C13H18O2/c1-3-12-13(15-12)9(2)7-10-5-4-6-11(14)8-10/h4-6,8-9,12-14H,3,7H2,1-2H3
InChIKeyDEOHDNDBWFYFIA-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.75
Rot. Bonds4

About 3-[2-(3-ethyloxiran-2-yl)propyl]phenol

3-[2-(3-ethyloxiran-2-yl)propyl]phenol (PubChem CID 83930339) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 3-[2-(3-ethyloxiran-2-yl)propyl]phenol.

Molecular Properties

Compound Name3-[2-(3-ethyloxiran-2-yl)propyl]phenol
PubChem CID83930339
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name3-[2-(3-ethyloxiran-2-yl)propyl]phenol
SMILESCCC1OC1C(C)Cc1cccc(O)c1
InChIInChI=1S/C13H18O2/c1-3-12-13(15-12)9(2)7-10-5-4-6-11(14)8-10/h4-6,8-9,12-14H,3,7H2,1-2H3
InChIKeyDEOHDNDBWFYFIA-UHFFFAOYSA-N
XLogP2.75
TPSA32.76 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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-chlorophenyl)propan-2-yl]-3-ethyloxirane
CID 83931196
2-[1-(3-tert-butyl-4-methylphenyl)propan-2-yl]-3-ethyloxirane
CID 83939257
3-(2-sulfanylpropyl)phenol
CID 115013475
3-(3-hydroxy-2-methylpentyl)phenol
CID 19426978
3-[3-(hydroxymethyl)-4-(3-hydroxyphenyl)-2-methylbutyl]phenol
CID 142337153
2-ethyl-3-[1-(5-ethylthiophen-2-yl)propan-2-yl]oxirane
CID 83929453
3-(2-nitropropyl)phenol
CID 55250663
3-[2-(3-methyloxiran-2-yl)ethyl]phenol
CID 83930331
3-[(3-ethyloxetan-2-yl)methyl]phenol
CID 139333931
(2S,3S,4S,7S)-3,4-bis[(3-hydroxyphenyl)methyl]octane-2,7-diol;(2S,3R,4R,7S)-3,4-bis[(3-hydroxyphenyl)methyl]octane-2,7-diol
CID 172869203
(2R)-2-[(3-hydroxyphenyl)methyl]-3-methylbutanoic acid
CID 90059046
3-[2-(4-aminophenyl)propyl]phenol
CID 70385210

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-ethyloxiran-2-yl)propyl]phenol?
The IUPAC name of 3-[2-(3-ethyloxiran-2-yl)propyl]phenol (CID 83930339) is 3-[2-(3-ethyloxiran-2-yl)propyl]phenol.
What is the SMILES notation for 3-[2-(3-ethyloxiran-2-yl)propyl]phenol?
The canonical SMILES for 3-[2-(3-ethyloxiran-2-yl)propyl]phenol is CCC1OC1C(C)Cc1cccc(O)c1.
What is the InChIKey of 3-[2-(3-ethyloxiran-2-yl)propyl]phenol?
The InChIKey is DEOHDNDBWFYFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-12-13(15-12)9(2)7-10-5-4-6-11(14)8-10/h4-6,8-9,12-14H,3,7H2,1-2H3.
What are the key properties of 3-[2-(3-ethyloxiran-2-yl)propyl]phenol?
3-[2-(3-ethyloxiran-2-yl)propyl]phenol has a molecular weight of 206.28 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-ethyloxiran-2-yl)propyl]phenol is sourced from PubChem (CID 83930339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).