bis(2,4-dihydroxyphenyl)methanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone

C38H44O8 — CID 162233219

IUPACbis(2,4-dihydroxyphenyl)methanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone
SMILESCCCCCCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1.O=C(c1ccc(O)cc1O)c1ccc(O)cc1O
InChIInChI=1S/C25H34O3.C13H10O5/c1-2-3-4-5-6-7-8-9-10-14-19-28-22-17-18-23(24(26)20-22)25(27)21-15-12-11-13-16-21;14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h11-13,15-18,20,26H,2-10,14,19H2,1H3;1-6,14-17H
InChIKeyZVSGDXYONNAHFM-UHFFFAOYSA-N
MW628.76 g/mol
LogP8.66
Rot. Bonds16

About bis(2,4-dihydroxyphenyl)methanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone

bis(2,4-dihydroxyphenyl)methanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone (PubChem CID 162233219) has the molecular formula C38H44O8 and a molecular weight of 628.76 g/mol. Its IUPAC name is bis(2,4-dihydroxyphenyl)methanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone.

Molecular Properties

Compound Namebis(2,4-dihydroxyphenyl)methanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone
PubChem CID162233219
Molecular FormulaC38H44O8
Molecular Weight628.76 g/mol
Exact Mass628.30
IUPAC Namebis(2,4-dihydroxyphenyl)methanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone
SMILESCCCCCCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1.O=C(c1ccc(O)cc1O)c1ccc(O)cc1O
InChIInChI=1S/C25H34O3.C13H10O5/c1-2-3-4-5-6-7-8-9-10-14-19-28-22-17-18-23(24(26)20-22)25(27)21-15-12-11-13-16-21;14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h11-13,15-18,20,26H,2-10,14,19H2,1H3;1-6,14-17H
InChIKeyZVSGDXYONNAHFM-UHFFFAOYSA-N
XLogP8.66
TPSA144.52 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.76
LogP ≤ 58.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
dichloromethane;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 174965909
(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 22644201
[4-[4-(4-benzoyl-3-hydroxyphenoxy)butoxy]-2-hydroxyphenyl]-phenylmethanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-phenylmethoxyphenyl)-phenylmethanone
CID 162002318
(4-hexoxy-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone
CID 19832534
3-(4-benzoyl-3-hydroxyphenoxy)propyl-dodecyl-dimethylazanium
CID 59746989
bis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone
CID 159984364
(2-hydroxy-4-octylperoxyphenyl)-phenylmethanone
CID 152720856
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-hexoxyphenol;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 175139599
[4-(6-aminohexoxy)-2-hydroxyphenyl]-phenylmethanone
CID 54336810
[2,4-di(undecoxy)phenyl]-(2-hydroxy-4-undecoxyphenyl)methanone
CID 20743749

Frequently Asked Questions

What is the IUPAC name of bis(2,4-dihydroxyphenyl)methanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone?
The IUPAC name of bis(2,4-dihydroxyphenyl)methanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone (CID 162233219) is bis(2,4-dihydroxyphenyl)methanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone.
What is the SMILES notation for bis(2,4-dihydroxyphenyl)methanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone?
The canonical SMILES for bis(2,4-dihydroxyphenyl)methanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone is CCCCCCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1.O=C(c1ccc(O)cc1O)c1ccc(O)cc1O.
What is the InChIKey of bis(2,4-dihydroxyphenyl)methanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone?
The InChIKey is ZVSGDXYONNAHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O3.C13H10O5/c1-2-3-4-5-6-7-8-9-10-14-19-28-22-17-18-23(24(26)20-22)25(27)21-15-12-11-13-16-21;14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h11-13,15-18,20,26H,2-10,14,19H2,1H3;1-6,14-17H.
What are the key properties of bis(2,4-dihydroxyphenyl)methanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone?
bis(2,4-dihydroxyphenyl)methanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone has a molecular weight of 628.76 g/mol, XLogP of 8.66, 16 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-dihydroxyphenyl)methanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone is sourced from PubChem (CID 162233219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).