2-ethyl-1-(3-methyl-2-phenylmethoxyphenyl)butan-1-ol

C20H26O2 — CID 171366492

IUPAC2-ethyl-1-(3-methyl-2-phenylmethoxyphenyl)butan-1-ol
SMILESCCC(CC)C(O)c1cccc(C)c1OCc1ccccc1
InChIInChI=1S/C20H26O2/c1-4-17(5-2)19(21)18-13-9-10-15(3)20(18)22-14-16-11-7-6-8-12-16/h6-13,17,19,21H,4-5,14H2,1-3H3
InChIKeyCQQCNBNEEGTPCH-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.04
Rot. Bonds7

About 2-ethyl-1-(3-methyl-2-phenylmethoxyphenyl)butan-1-ol

2-ethyl-1-(3-methyl-2-phenylmethoxyphenyl)butan-1-ol (PubChem CID 171366492) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-ethyl-1-(3-methyl-2-phenylmethoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-(3-methyl-2-phenylmethoxyphenyl)butan-1-ol
PubChem CID171366492
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name2-ethyl-1-(3-methyl-2-phenylmethoxyphenyl)butan-1-ol
SMILESCCC(CC)C(O)c1cccc(C)c1OCc1ccccc1
InChIInChI=1S/C20H26O2/c1-4-17(5-2)19(21)18-13-9-10-15(3)20(18)22-14-16-11-7-6-8-12-16/h6-13,17,19,21H,4-5,14H2,1-3H3
InChIKeyCQQCNBNEEGTPCH-UHFFFAOYSA-N
XLogP5.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methyl-2-phenylmethoxyphenyl)-phenylmethanol
CID 171366218
1-(3-methoxy-2-phenylmethoxyphenyl)propan-1-ol
CID 83951052
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CID 71366901
1-(2-phenylmethoxy-3-propan-2-ylphenyl)ethanol
CID 170547313
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
2-[2-[1-[2-(2-hydroxyethoxy)-3-methylphenyl]propyl]-6-methylphenoxy]ethanol
CID 174987641
1-(3-methoxy-2-phenylmethoxyphenyl)butan-1-ol
CID 83951053
1-methyl-3-phenylmethoxy-2-propan-2-yloxybenzene
CID 174337570
1-[3-methyl-2-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 82088753
1-(2-amino-3-phenylmethoxyphenyl)propane-1-thiol
CID 141043165
(1R,2S)-1-amino-3-methyl-1-(2-phenylmethoxyphenyl)pentan-2-ol
CID 171265324
2-phenylmethoxybenzene-1,3-diol
CID 15652625

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-methyl-2-phenylmethoxyphenyl)butan-1-ol?
The IUPAC name of 2-ethyl-1-(3-methyl-2-phenylmethoxyphenyl)butan-1-ol (CID 171366492) is 2-ethyl-1-(3-methyl-2-phenylmethoxyphenyl)butan-1-ol.
What is the SMILES notation for 2-ethyl-1-(3-methyl-2-phenylmethoxyphenyl)butan-1-ol?
The canonical SMILES for 2-ethyl-1-(3-methyl-2-phenylmethoxyphenyl)butan-1-ol is CCC(CC)C(O)c1cccc(C)c1OCc1ccccc1.
What is the InChIKey of 2-ethyl-1-(3-methyl-2-phenylmethoxyphenyl)butan-1-ol?
The InChIKey is CQQCNBNEEGTPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-4-17(5-2)19(21)18-13-9-10-15(3)20(18)22-14-16-11-7-6-8-12-16/h6-13,17,19,21H,4-5,14H2,1-3H3.
What are the key properties of 2-ethyl-1-(3-methyl-2-phenylmethoxyphenyl)butan-1-ol?
2-ethyl-1-(3-methyl-2-phenylmethoxyphenyl)butan-1-ol has a molecular weight of 298.43 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-methyl-2-phenylmethoxyphenyl)butan-1-ol is sourced from PubChem (CID 171366492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).