2-butan-2-yl-4-(4-ethoxyphenoxy)phenol

C18H22O3 — CID 21466417

IUPAC2-butan-2-yl-4-(4-ethoxyphenoxy)phenol
SMILESCCOc1ccc(Oc2ccc(O)c(C(C)CC)c2)cc1
InChIInChI=1S/C18H22O3/c1-4-13(3)17-12-16(10-11-18(17)19)21-15-8-6-14(7-9-15)20-5-2/h6-13,19H,4-5H2,1-3H3
InChIKeyCXQMVGXMQUWYPH-UHFFFAOYSA-N
MW286.37 g/mol
LogP5.10
Rot. Bonds6

About 2-butan-2-yl-4-(4-ethoxyphenoxy)phenol

2-butan-2-yl-4-(4-ethoxyphenoxy)phenol (PubChem CID 21466417) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-butan-2-yl-4-(4-ethoxyphenoxy)phenol.

Molecular Properties

Compound Name2-butan-2-yl-4-(4-ethoxyphenoxy)phenol
PubChem CID21466417
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name2-butan-2-yl-4-(4-ethoxyphenoxy)phenol
SMILESCCOc1ccc(Oc2ccc(O)c(C(C)CC)c2)cc1
InChIInChI=1S/C18H22O3/c1-4-13(3)17-12-16(10-11-18(17)19)21-15-8-6-14(7-9-15)20-5-2/h6-13,19H,4-5H2,1-3H3
InChIKeyCXQMVGXMQUWYPH-UHFFFAOYSA-N
XLogP5.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.37
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminoethyl)-4-ethoxyphenol
CID 19748523
2-tert-butyl-4-(4-ethoxyphenoxy)phenol
CID 21466161
2-(1-aminopropyl)-4-methoxyphenol
CID 19748508
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-4-ethoxyphenol
CID 66510272
4-(4-ethoxyphenoxy)-3-propan-2-ylphenol
CID 21466412
5-butan-2-ylbenzene-1,2,4-triol
CID 22895392
5-ethoxy-2-(1-hydroxyethyl)phenol
CID 152793520
1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine
CID 63941952
4-(4-ethoxyphenoxy)-1-phenylmethoxy-2-propan-2-ylbenzene
CID 21466253
4-chloro-2-[1-(4-ethoxyanilino)ethyl]phenol
CID 2948111
4-bromo-2-[1-(4-ethoxyanilino)propyl]phenol
CID 43100870
4-ethoxy-2-[(propan-2-ylamino)methyl]phenol;hydrochloride
CID 115602892

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4-(4-ethoxyphenoxy)phenol?
The IUPAC name of 2-butan-2-yl-4-(4-ethoxyphenoxy)phenol (CID 21466417) is 2-butan-2-yl-4-(4-ethoxyphenoxy)phenol.
What is the SMILES notation for 2-butan-2-yl-4-(4-ethoxyphenoxy)phenol?
The canonical SMILES for 2-butan-2-yl-4-(4-ethoxyphenoxy)phenol is CCOc1ccc(Oc2ccc(O)c(C(C)CC)c2)cc1.
What is the InChIKey of 2-butan-2-yl-4-(4-ethoxyphenoxy)phenol?
The InChIKey is CXQMVGXMQUWYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-4-13(3)17-12-16(10-11-18(17)19)21-15-8-6-14(7-9-15)20-5-2/h6-13,19H,4-5H2,1-3H3.
What are the key properties of 2-butan-2-yl-4-(4-ethoxyphenoxy)phenol?
2-butan-2-yl-4-(4-ethoxyphenoxy)phenol has a molecular weight of 286.37 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4-(4-ethoxyphenoxy)phenol is sourced from PubChem (CID 21466417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).