3-[(4-ethylphenoxy)methyl]phenol

C15H16O2 — CID 70330427

IUPAC3-[(4-ethylphenoxy)methyl]phenol
SMILESCCc1ccc(OCc2cccc(O)c2)cc1
InChIInChI=1S/C15H16O2/c1-2-12-6-8-15(9-7-12)17-11-13-4-3-5-14(16)10-13/h3-10,16H,2,11H2,1H3
InChIKeyCLKSDCZKLRYBLE-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.53
Rot. Bonds4

About 3-[(4-ethylphenoxy)methyl]phenol

3-[(4-ethylphenoxy)methyl]phenol (PubChem CID 70330427) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[(4-ethylphenoxy)methyl]phenol.

Molecular Properties

Compound Name3-[(4-ethylphenoxy)methyl]phenol
PubChem CID70330427
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name3-[(4-ethylphenoxy)methyl]phenol
SMILESCCc1ccc(OCc2cccc(O)c2)cc1
InChIInChI=1S/C15H16O2/c1-2-12-6-8-15(9-7-12)17-11-13-4-3-5-14(16)10-13/h3-10,16H,2,11H2,1H3
InChIKeyCLKSDCZKLRYBLE-UHFFFAOYSA-N
XLogP3.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenol
CID 70563194
3-[(4-ethylphenoxy)methyl]benzoic acid
CID 891200
3-ethylphenol;4-ethylphenol
CID 70541430
3-[(3-methylphenyl)methoxy]phenol
CID 39243397
2-[4-[(4-ethylphenyl)methoxy]phenyl]ethanol
CID 103844538
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
methyl 2-cyano-3-[4-[(3-hydroxyphenyl)methoxy]phenyl]propanoate
CID 66685231
2-acetyl-5-[(3-hydroxyphenyl)methoxy]benzoic acid
CID 91863786
3-(aminomethyl)phenol;ethane;ethylbenzene
CID 144683707
3-[2-(4-methoxyphenyl)ethyl]phenol
CID 71375357
1-butyl-4-[(3-fluorophenyl)methoxy]benzene
CID 162218759
2-hydroxy-5-[(3-hydroxyphenyl)methoxy]benzoic acid
CID 71036830

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylphenoxy)methyl]phenol?
The IUPAC name of 3-[(4-ethylphenoxy)methyl]phenol (CID 70330427) is 3-[(4-ethylphenoxy)methyl]phenol.
What is the SMILES notation for 3-[(4-ethylphenoxy)methyl]phenol?
The canonical SMILES for 3-[(4-ethylphenoxy)methyl]phenol is CCc1ccc(OCc2cccc(O)c2)cc1.
What is the InChIKey of 3-[(4-ethylphenoxy)methyl]phenol?
The InChIKey is CLKSDCZKLRYBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-2-12-6-8-15(9-7-12)17-11-13-4-3-5-14(16)10-13/h3-10,16H,2,11H2,1H3.
What are the key properties of 3-[(4-ethylphenoxy)methyl]phenol?
3-[(4-ethylphenoxy)methyl]phenol has a molecular weight of 228.29 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylphenoxy)methyl]phenol is sourced from PubChem (CID 70330427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).