[4-(2-ethylhexoxy)-2-hydroxyphenyl]-phenylmethanone

C21H26O3 — CID 17353

IUPAC[4-(2-ethylhexoxy)-2-hydroxyphenyl]-phenylmethanone
SMILESCCCCC(CC)COc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C21H26O3/c1-3-5-9-16(4-2)15-24-18-12-13-19(20(22)14-18)21(23)17-10-7-6-8-11-17/h6-8,10-14,16,22H,3-5,9,15H2,1-2H3
InChIKeySLXIKWJMGICOAO-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.22
Rot. Bonds9

About [4-(2-ethylhexoxy)-2-hydroxyphenyl]-phenylmethanone

[4-(2-ethylhexoxy)-2-hydroxyphenyl]-phenylmethanone (PubChem CID 17353) has the molecular formula C21H26O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is [4-(2-ethylhexoxy)-2-hydroxyphenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-ethylhexoxy)-2-hydroxyphenyl]-phenylmethanone
PubChem CID17353
Molecular FormulaC21H26O3
Molecular Weight326.44 g/mol
Exact Mass326.19
IUPAC Name[4-(2-ethylhexoxy)-2-hydroxyphenyl]-phenylmethanone
SMILESCCCCC(CC)COc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C21H26O3/c1-3-5-9-16(4-2)15-24-18-12-13-19(20(22)14-18)21(23)17-10-7-6-8-11-17/h6-8,10-14,16,22H,3-5,9,15H2,1-2H3
InChIKeySLXIKWJMGICOAO-UHFFFAOYSA-N
XLogP5.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-heptadecoxy-2-hydroxyphenyl)-phenylmethanone
CID 21448860
(4-butoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 67726812
1,3-bis(4-benzoyl-3-hydroxyphenoxy)propan-2-yl dodecanoate
CID 54074924
[4-[3-[1-[3-(4-benzoyl-3-hydroxyphenoxy)-2-hydroxypropoxy]hexoxy]-2-hydroxypropoxy]-2-hydroxyphenyl]-phenylmethanone
CID 70148317
dichloromethane;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 174965909
bis(2,4-dihydroxyphenyl)methanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone
CID 162233219
(4-benzoyl-3-hydroxyphenyl) 4-[bis(2-ethylhexyl)amino]benzoate
CID 54198861
carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium
CID 158307427
lithium benzoyl-[4-(2-ethylhexoxy)-2-methylphenyl]phosphanide
CID 141016907
[4-[4-(4-benzoyl-3-hydroxyphenoxy)butoxy]-2-hydroxyphenyl]-phenylmethanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-phenylmethoxyphenyl)-phenylmethanone
CID 162002318
1-(4-benzoyl-3-hydroxyphenoxy)butan-2-yl 2-methylprop-2-enoate
CID 23434433
1-[(2E,4E)-3,4-dimethyl-5-phenylhexa-2,4-dien-2-yl]-4-(2-ethylhexoxy)benzene
CID 59296842

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylhexoxy)-2-hydroxyphenyl]-phenylmethanone?
The IUPAC name of [4-(2-ethylhexoxy)-2-hydroxyphenyl]-phenylmethanone (CID 17353) is [4-(2-ethylhexoxy)-2-hydroxyphenyl]-phenylmethanone.
What is the SMILES notation for [4-(2-ethylhexoxy)-2-hydroxyphenyl]-phenylmethanone?
The canonical SMILES for [4-(2-ethylhexoxy)-2-hydroxyphenyl]-phenylmethanone is CCCCC(CC)COc1ccc(C(=O)c2ccccc2)c(O)c1.
What is the InChIKey of [4-(2-ethylhexoxy)-2-hydroxyphenyl]-phenylmethanone?
The InChIKey is SLXIKWJMGICOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O3/c1-3-5-9-16(4-2)15-24-18-12-13-19(20(22)14-18)21(23)17-10-7-6-8-11-17/h6-8,10-14,16,22H,3-5,9,15H2,1-2H3.
What are the key properties of [4-(2-ethylhexoxy)-2-hydroxyphenyl]-phenylmethanone?
[4-(2-ethylhexoxy)-2-hydroxyphenyl]-phenylmethanone has a molecular weight of 326.44 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylhexoxy)-2-hydroxyphenyl]-phenylmethanone is sourced from PubChem (CID 17353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).