(4-tert-butylphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone

C19H22O3 — CID 151405444

IUPAC(4-tert-butylphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2ccc(C(C)(C)C)cc2)c(O)c1
InChIInChI=1S/C19H22O3/c1-5-22-15-10-11-16(17(20)12-15)18(21)13-6-8-14(9-7-13)19(2,3)4/h6-12,20H,5H2,1-4H3
InChIKeyOXKAVCLNLCUDCY-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.32
Rot. Bonds4

About (4-tert-butylphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone

(4-tert-butylphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone (PubChem CID 151405444) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone
PubChem CID151405444
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name(4-tert-butylphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2ccc(C(C)(C)C)cc2)c(O)c1
InChIInChI=1S/C19H22O3/c1-5-22-15-10-11-16(17(20)12-15)18(21)13-6-8-14(9-7-13)19(2,3)4/h6-12,20H,5H2,1-4H3
InChIKeyOXKAVCLNLCUDCY-UHFFFAOYSA-N
XLogP4.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium
CID 158307427
(2,4-dihydroxyphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone
CID 23069395
1-[3-(2,2-dimethylpropanoyl)-4-(4-ethoxybenzoyl)phenyl]-2,2-dimethylpropan-1-one
CID 150347658
[2-hydroxy-4-(2-methylpropoxy)phenyl]-[4-(2-methylpropoxy)phenyl]methanone
CID 141021495
4-ethoxy-N'-(4-ethoxy-2-hydroxybenzoyl)-2-hydroxybenzohydrazide
CID 20557201
2-(4-ethoxy-2-hydroxybenzoyl)benzoic acid
CID 156787374
tert-butyl 2-[3-hydroxy-4-(4-methylbenzoyl)phenoxy]acetate
CID 166860175
(4-ethoxy-2-hydroxyphenyl)-(3-nitrophenyl)methanone
CID 141155514
4-(2-hydroxy-4-methoxybenzoyl)benzoic acid
CID 22162022
2-[3-hydroxy-4-(4-methoxybenzoyl)phenoxy]acetaldehyde
CID 54363889
ethoxyethane;[4-(3-ethoxypropoxy)-2-hydroxyphenyl]-phenylmethanone
CID 162734558
tert-butyl 2-(4-benzoyl-3-hydroxyphenoxy)acetate
CID 146550205

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone?
The IUPAC name of (4-tert-butylphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone (CID 151405444) is (4-tert-butylphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone.
What is the SMILES notation for (4-tert-butylphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone?
The canonical SMILES for (4-tert-butylphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone is CCOc1ccc(C(=O)c2ccc(C(C)(C)C)cc2)c(O)c1.
What is the InChIKey of (4-tert-butylphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone?
The InChIKey is OXKAVCLNLCUDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-5-22-15-10-11-16(17(20)12-15)18(21)13-6-8-14(9-7-13)19(2,3)4/h6-12,20H,5H2,1-4H3.
What are the key properties of (4-tert-butylphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone?
(4-tert-butylphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone has a molecular weight of 298.38 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone is sourced from PubChem (CID 151405444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).