5-ethyl-2-methoxy-4-[(2S)-pentan-2-yl]phenol

C14H22O2 — CID 93477742

IUPAC5-ethyl-2-methoxy-4-[(2S)-pentan-2-yl]phenol
SMILESCCC[C@H](C)c1cc(OC)c(O)cc1CC
InChIInChI=1S/C14H22O2/c1-5-7-10(3)12-9-14(16-4)13(15)8-11(12)6-2/h8-10,15H,5-7H2,1-4H3/t10-/m0/s1
InChIKeyKBWYBBQTRTWLNB-JTQLQIEISA-N
MW222.33 g/mol
LogP3.87
Rot. Bonds5

About 5-ethyl-2-methoxy-4-[(2S)-pentan-2-yl]phenol

5-ethyl-2-methoxy-4-[(2S)-pentan-2-yl]phenol (PubChem CID 93477742) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-ethyl-2-methoxy-4-[(2S)-pentan-2-yl]phenol.

Molecular Properties

Compound Name5-ethyl-2-methoxy-4-[(2S)-pentan-2-yl]phenol
PubChem CID93477742
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name5-ethyl-2-methoxy-4-[(2S)-pentan-2-yl]phenol
SMILESCCC[C@H](C)c1cc(OC)c(O)cc1CC
InChIInChI=1S/C14H22O2/c1-5-7-10(3)12-9-14(16-4)13(15)8-11(12)6-2/h8-10,15H,5-7H2,1-4H3/t10-/m0/s1
InChIKeyKBWYBBQTRTWLNB-JTQLQIEISA-N
XLogP3.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-2-methoxy-4-pentan-2-ylphenol
CID 10307983
N-[1-(2-ethyl-5-hydroxy-4-methoxyphenyl)butyl]acetamide
CID 70864032
2-methoxy-5-propylbenzene-1,4-diol
CID 5314475
2,5-diethyl-4-methoxyphenol
CID 162375149
butane;4-ethyl-5-propan-2-ylbenzene-1,2-diol
CID 142271065
ethyl 2-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)acetate
CID 117393736
5-(2-hydroxypropyl)-2,4-dimethoxyphenol
CID 117303005
5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methoxybenzaldehyde
CID 117300229
4-(1-aminoethyl)-2,5-dimethoxyphenol
CID 117287023
2-(5-ethyl-2-hydroxy-4-methoxyphenyl)propanoic acid
CID 84789679
2-methoxy-5-(2-methylpentyl)phenol
CID 154974152
5-ethylsulfonyl-4-methoxy-2-propan-2-ylphenol
CID 139270330

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methoxy-4-[(2S)-pentan-2-yl]phenol?
The IUPAC name of 5-ethyl-2-methoxy-4-[(2S)-pentan-2-yl]phenol (CID 93477742) is 5-ethyl-2-methoxy-4-[(2S)-pentan-2-yl]phenol.
What is the SMILES notation for 5-ethyl-2-methoxy-4-[(2S)-pentan-2-yl]phenol?
The canonical SMILES for 5-ethyl-2-methoxy-4-[(2S)-pentan-2-yl]phenol is CCC[C@H](C)c1cc(OC)c(O)cc1CC.
What is the InChIKey of 5-ethyl-2-methoxy-4-[(2S)-pentan-2-yl]phenol?
The InChIKey is KBWYBBQTRTWLNB-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22O2/c1-5-7-10(3)12-9-14(16-4)13(15)8-11(12)6-2/h8-10,15H,5-7H2,1-4H3/t10-/m0/s1.
What are the key properties of 5-ethyl-2-methoxy-4-[(2S)-pentan-2-yl]phenol?
5-ethyl-2-methoxy-4-[(2S)-pentan-2-yl]phenol has a molecular weight of 222.33 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methoxy-4-[(2S)-pentan-2-yl]phenol is sourced from PubChem (CID 93477742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).