3-[5-(2-ethoxy-6-propan-2-ylphenoxy)pentan-2-yl]furan

C20H28O3 — CID 155248767

IUPAC3-[5-(2-ethoxy-6-propan-2-ylphenoxy)pentan-2-yl]furan
SMILESCCOc1cccc(C(C)C)c1OCCCC(C)c1ccoc1
InChIInChI=1S/C20H28O3/c1-5-22-19-10-6-9-18(15(2)3)20(19)23-12-7-8-16(4)17-11-13-21-14-17/h6,9-11,13-16H,5,7-8,12H2,1-4H3
InChIKeyBQTCWORCTAIVNR-UHFFFAOYSA-N
MW316.44 g/mol
LogP5.76
Rot. Bonds9

About 3-[5-(2-ethoxy-6-propan-2-ylphenoxy)pentan-2-yl]furan

3-[5-(2-ethoxy-6-propan-2-ylphenoxy)pentan-2-yl]furan (PubChem CID 155248767) has the molecular formula C20H28O3 and a molecular weight of 316.44 g/mol. Its IUPAC name is 3-[5-(2-ethoxy-6-propan-2-ylphenoxy)pentan-2-yl]furan.

Molecular Properties

Compound Name3-[5-(2-ethoxy-6-propan-2-ylphenoxy)pentan-2-yl]furan
PubChem CID155248767
Molecular FormulaC20H28O3
Molecular Weight316.44 g/mol
Exact Mass316.20
IUPAC Name3-[5-(2-ethoxy-6-propan-2-ylphenoxy)pentan-2-yl]furan
SMILESCCOc1cccc(C(C)C)c1OCCCC(C)c1ccoc1
InChIInChI=1S/C20H28O3/c1-5-22-19-10-6-9-18(15(2)3)20(19)23-12-7-8-16(4)17-11-13-21-14-17/h6,9-11,13-16H,5,7-8,12H2,1-4H3
InChIKeyBQTCWORCTAIVNR-UHFFFAOYSA-N
XLogP5.76
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.44
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethoxy-5-propan-2-ylnaphthalene
CID 176668059
2-ethoxy-1,3-di(propan-2-yl)benzene
CID 20769463
1,3-di(propan-2-yl)-2-propoxybenzene
CID 59277560
1-[2-(2-hydroxypropoxy)-3-propan-2-ylphenoxy]propan-2-ol
CID 70257294
1-(chloromethyl)-3-ethoxy-2-(3-methylbutoxy)benzene
CID 43366787
4-ethoxy-N-ethyl-1-(furan-3-yl)butan-1-amine
CID 105146625
4-[2,6-di(propan-2-yl)phenoxy]butyl-diethylazanium
CID 2250093
2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]benzamide
CID 71804415
1,2-diethoxy-3-pentoxybenzene
CID 174527240
(2S)-2-amino-2-(2,3-diethoxyphenyl)ethanol
CID 66515135
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
1-(2-ethoxyphenyl)-3-[3-(furan-3-yl)-3-hydroxypropyl]urea
CID 121132993

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-ethoxy-6-propan-2-ylphenoxy)pentan-2-yl]furan?
The IUPAC name of 3-[5-(2-ethoxy-6-propan-2-ylphenoxy)pentan-2-yl]furan (CID 155248767) is 3-[5-(2-ethoxy-6-propan-2-ylphenoxy)pentan-2-yl]furan.
What is the SMILES notation for 3-[5-(2-ethoxy-6-propan-2-ylphenoxy)pentan-2-yl]furan?
The canonical SMILES for 3-[5-(2-ethoxy-6-propan-2-ylphenoxy)pentan-2-yl]furan is CCOc1cccc(C(C)C)c1OCCCC(C)c1ccoc1.
What is the InChIKey of 3-[5-(2-ethoxy-6-propan-2-ylphenoxy)pentan-2-yl]furan?
The InChIKey is BQTCWORCTAIVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O3/c1-5-22-19-10-6-9-18(15(2)3)20(19)23-12-7-8-16(4)17-11-13-21-14-17/h6,9-11,13-16H,5,7-8,12H2,1-4H3.
What are the key properties of 3-[5-(2-ethoxy-6-propan-2-ylphenoxy)pentan-2-yl]furan?
3-[5-(2-ethoxy-6-propan-2-ylphenoxy)pentan-2-yl]furan has a molecular weight of 316.44 g/mol, XLogP of 5.76, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-ethoxy-6-propan-2-ylphenoxy)pentan-2-yl]furan is sourced from PubChem (CID 155248767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).