2-[1-(5-chloro-2-ethoxyphenyl)propan-2-yl]-3-methyloxirane

C14H19ClO2 — CID 83933319

IUPAC2-[1-(5-chloro-2-ethoxyphenyl)propan-2-yl]-3-methyloxirane
SMILESCCOc1ccc(Cl)cc1CC(C)C1OC1C
InChIInChI=1S/C14H19ClO2/c1-4-16-13-6-5-12(15)8-11(13)7-9(2)14-10(3)17-14/h5-6,8-10,14H,4,7H2,1-3H3
InChIKeyPHKDQZORJZQYNC-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.70
Rot. Bonds5

About 2-[1-(5-chloro-2-ethoxyphenyl)propan-2-yl]-3-methyloxirane

2-[1-(5-chloro-2-ethoxyphenyl)propan-2-yl]-3-methyloxirane (PubChem CID 83933319) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-[1-(5-chloro-2-ethoxyphenyl)propan-2-yl]-3-methyloxirane.

Molecular Properties

Compound Name2-[1-(5-chloro-2-ethoxyphenyl)propan-2-yl]-3-methyloxirane
PubChem CID83933319
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name2-[1-(5-chloro-2-ethoxyphenyl)propan-2-yl]-3-methyloxirane
SMILESCCOc1ccc(Cl)cc1CC(C)C1OC1C
InChIInChI=1S/C14H19ClO2/c1-4-16-13-6-5-12(15)8-11(13)7-9(2)14-10(3)17-14/h5-6,8-10,14H,4,7H2,1-3H3
InChIKeyPHKDQZORJZQYNC-UHFFFAOYSA-N
XLogP3.70
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.70
H-Bond Donors ≤ 50
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-(2,5-diethoxyphenyl)propan-2-yl]-3-methyloxirane
CID 83942873
3-(5-chloro-2-ethoxyphenyl)-2-methylpropane-1-thiol
CID 83933217
3-(5-chloro-2-ethoxyphenyl)-2-methylpropanethioamide
CID 83933269
4-chloro-1-ethoxy-2-prop-2-enylbenzene
CID 91657308
1-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol
CID 117354157
2-(3-chloro-4-ethoxyphenyl)-3-methyloxirane
CID 116863459
2-(5-chloro-2-ethoxyphenyl)-N-methylethanamine
CID 82550128
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459305
2-[1-(4,5-diethoxy-2-fluorophenyl)propan-2-yl]-3-ethyloxirane
CID 83923159
1-[5-chloro-2-(2-methylbutoxy)phenyl]propan-2-amine
CID 62105520
1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
CID 103136586
2-(4-bromobutan-2-yl)-4-chloro-1-ethoxybenzene
CID 83933223

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloro-2-ethoxyphenyl)propan-2-yl]-3-methyloxirane?
The IUPAC name of 2-[1-(5-chloro-2-ethoxyphenyl)propan-2-yl]-3-methyloxirane (CID 83933319) is 2-[1-(5-chloro-2-ethoxyphenyl)propan-2-yl]-3-methyloxirane.
What is the SMILES notation for 2-[1-(5-chloro-2-ethoxyphenyl)propan-2-yl]-3-methyloxirane?
The canonical SMILES for 2-[1-(5-chloro-2-ethoxyphenyl)propan-2-yl]-3-methyloxirane is CCOc1ccc(Cl)cc1CC(C)C1OC1C.
What is the InChIKey of 2-[1-(5-chloro-2-ethoxyphenyl)propan-2-yl]-3-methyloxirane?
The InChIKey is PHKDQZORJZQYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c1-4-16-13-6-5-12(15)8-11(13)7-9(2)14-10(3)17-14/h5-6,8-10,14H,4,7H2,1-3H3.
What are the key properties of 2-[1-(5-chloro-2-ethoxyphenyl)propan-2-yl]-3-methyloxirane?
2-[1-(5-chloro-2-ethoxyphenyl)propan-2-yl]-3-methyloxirane has a molecular weight of 254.76 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloro-2-ethoxyphenyl)propan-2-yl]-3-methyloxirane is sourced from PubChem (CID 83933319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).