(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone

C39H46O7 — CID 22644201

IUPAC(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
SMILESCCCCCCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1.COc1ccc(C(=O)c2ccccc2O)c(O)c1
InChIInChI=1S/C25H34O3.C14H12O4/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;1-18-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15/h11-13,15-18,20,26H,2-10,14,19H2,1H3;2-8,15-16H,1H3
InChIKeyFWCOVYMDXJZFLW-UHFFFAOYSA-N
MW626.79 g/mol
LogP9.26
Rot. Bonds17

About (4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone

(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone (PubChem CID 22644201) has the molecular formula C39H46O7 and a molecular weight of 626.79 g/mol. Its IUPAC name is (4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
PubChem CID22644201
Molecular FormulaC39H46O7
Molecular Weight626.79 g/mol
Exact Mass626.32
IUPAC Name(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
SMILESCCCCCCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1.COc1ccc(C(=O)c2ccccc2O)c(O)c1
InChIInChI=1S/C25H34O3.C14H12O4/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;1-18-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15/h11-13,15-18,20,26H,2-10,14,19H2,1H3;2-8,15-16H,1H3
InChIKeyFWCOVYMDXJZFLW-UHFFFAOYSA-N
XLogP9.26
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.79
LogP ≤ 59.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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
bis(2,4-dihydroxyphenyl)methanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone
CID 162233219
(4-hexoxy-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone
CID 19832534
dichloromethane;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 174965909
[4-[4-(4-benzoyl-3-hydroxyphenoxy)butoxy]-2-hydroxyphenyl]-phenylmethanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-phenylmethoxyphenyl)-phenylmethanone
CID 162002318
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
formaldehyde;bis((2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone);bis((2-hydroxy-4-methoxyphenyl)-phenylmethanone)
CID 158936805
3-(4-benzoyl-3-hydroxyphenoxy)propyl-dodecyl-dimethylazanium
CID 59746989
(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
CID 175499515
CID 175499515

Frequently Asked Questions

What is the IUPAC name of (4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone?
The IUPAC name of (4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone (CID 22644201) is (4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone.
What is the SMILES notation for (4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone?
The canonical SMILES for (4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone is CCCCCCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1.COc1ccc(C(=O)c2ccccc2O)c(O)c1.
What is the InChIKey of (4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone?
The InChIKey is FWCOVYMDXJZFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O3.C14H12O4/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;1-18-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15/h11-13,15-18,20,26H,2-10,14,19H2,1H3;2-8,15-16H,1H3.
What are the key properties of (4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone?
(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone has a molecular weight of 626.79 g/mol, XLogP of 9.26, 17 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 22644201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).