5-[10-[4,5-dimethoxy-2-methyl-3,6-bis(phenylmethoxy)phenyl]decoxy]benzene-1,3-diol

C39H48O7 — CID 71624549

IUPAC5-[10-[4,5-dimethoxy-2-methyl-3,6-bis(phenylmethoxy)phenyl]decoxy]benzene-1,3-diol
SMILESCOc1c(OCc2ccccc2)c(C)c(CCCCCCCCCCOc2cc(O)cc(O)c2)c(OCc2ccccc2)c1OC
InChIInChI=1S/C39H48O7/c1-29-35(22-16-8-6-4-5-7-9-17-23-44-34-25-32(40)24-33(41)26-34)37(46-28-31-20-14-11-15-21-31)39(43-3)38(42-2)36(29)45-27-30-18-12-10-13-19-30/h10-15,18-21,24-26,40-41H,4-9,16-17,22-23,27-28H2,1-3H3
InChIKeyRAWLBWPWUBOYDF-UHFFFAOYSA-N
MW628.81 g/mol
LogP9.32
Rot. Bonds20

About 5-[10-[4,5-dimethoxy-2-methyl-3,6-bis(phenylmethoxy)phenyl]decoxy]benzene-1,3-diol

5-[10-[4,5-dimethoxy-2-methyl-3,6-bis(phenylmethoxy)phenyl]decoxy]benzene-1,3-diol (PubChem CID 71624549) has the molecular formula C39H48O7 and a molecular weight of 628.81 g/mol. Its IUPAC name is 5-[10-[4,5-dimethoxy-2-methyl-3,6-bis(phenylmethoxy)phenyl]decoxy]benzene-1,3-diol.

Molecular Properties

Compound Name5-[10-[4,5-dimethoxy-2-methyl-3,6-bis(phenylmethoxy)phenyl]decoxy]benzene-1,3-diol
PubChem CID71624549
Molecular FormulaC39H48O7
Molecular Weight628.81 g/mol
Exact Mass628.34
IUPAC Name5-[10-[4,5-dimethoxy-2-methyl-3,6-bis(phenylmethoxy)phenyl]decoxy]benzene-1,3-diol
SMILESCOc1c(OCc2ccccc2)c(C)c(CCCCCCCCCCOc2cc(O)cc(O)c2)c(OCc2ccccc2)c1OC
InChIInChI=1S/C39H48O7/c1-29-35(22-16-8-6-4-5-7-9-17-23-44-34-25-32(40)24-33(41)26-34)37(46-28-31-20-14-11-15-21-31)39(43-3)38(42-2)36(29)45-27-30-18-12-10-13-19-30/h10-15,18-21,24-26,40-41H,4-9,16-17,22-23,27-28H2,1-3H3
InChIKeyRAWLBWPWUBOYDF-UHFFFAOYSA-N
XLogP9.32
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.81
LogP ≤ 59.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(6-phenylhexoxy)phenol
CID 54079626
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
5-[4-[3,5-bis[4-(3,5-dihydroxyphenoxy)butoxy]phenoxy]butoxy]benzene-1,3-diol
CID 53305209
1,3,5-tris[5-[3,5-bis[5-[3,5-bis(5-phenylmethoxypentoxy)phenoxy]pentoxy]phenoxy]pentoxy]benzene
CID 134929469
2,6-dimethyl-4-phenylmethoxyphenol;ethane;4-methoxy-3,5-dimethylphenol;2-methoxy-1,3-dimethyl-5-phenylmethoxybenzene;4-phenylmethoxyphenol
CID 157081622
1,2,3-trimethoxy-5-(5-phenoxypentoxy)benzene
CID 141201011
1-(8-methoxyoctyl)-4-phenylmethoxybenzene
CID 15052396
1-(3-methoxypropoxy)-3-methyl-5-phenylmethoxybenzene
CID 59224132
4-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]butan-2-one
CID 54428047
4-methoxy-2,5-dimethyl-3-phenylmethoxybenzaldehyde
CID 142270247
4-[2-(5,6-dimethoxy-3-methyl-4-phenylmethoxy-2-pyridinyl)ethyl]phenol
CID 58625510
N-methyl-2-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]ethanamine
CID 86653767

Frequently Asked Questions

What is the IUPAC name of 5-[10-[4,5-dimethoxy-2-methyl-3,6-bis(phenylmethoxy)phenyl]decoxy]benzene-1,3-diol?
The IUPAC name of 5-[10-[4,5-dimethoxy-2-methyl-3,6-bis(phenylmethoxy)phenyl]decoxy]benzene-1,3-diol (CID 71624549) is 5-[10-[4,5-dimethoxy-2-methyl-3,6-bis(phenylmethoxy)phenyl]decoxy]benzene-1,3-diol.
What is the SMILES notation for 5-[10-[4,5-dimethoxy-2-methyl-3,6-bis(phenylmethoxy)phenyl]decoxy]benzene-1,3-diol?
The canonical SMILES for 5-[10-[4,5-dimethoxy-2-methyl-3,6-bis(phenylmethoxy)phenyl]decoxy]benzene-1,3-diol is COc1c(OCc2ccccc2)c(C)c(CCCCCCCCCCOc2cc(O)cc(O)c2)c(OCc2ccccc2)c1OC.
What is the InChIKey of 5-[10-[4,5-dimethoxy-2-methyl-3,6-bis(phenylmethoxy)phenyl]decoxy]benzene-1,3-diol?
The InChIKey is RAWLBWPWUBOYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H48O7/c1-29-35(22-16-8-6-4-5-7-9-17-23-44-34-25-32(40)24-33(41)26-34)37(46-28-31-20-14-11-15-21-31)39(43-3)38(42-2)36(29)45-27-30-18-12-10-13-19-30/h10-15,18-21,24-26,40-41H,4-9,16-17,22-23,27-28H2,1-3H3.
What are the key properties of 5-[10-[4,5-dimethoxy-2-methyl-3,6-bis(phenylmethoxy)phenyl]decoxy]benzene-1,3-diol?
5-[10-[4,5-dimethoxy-2-methyl-3,6-bis(phenylmethoxy)phenyl]decoxy]benzene-1,3-diol has a molecular weight of 628.81 g/mol, XLogP of 9.32, 20 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-[4,5-dimethoxy-2-methyl-3,6-bis(phenylmethoxy)phenyl]decoxy]benzene-1,3-diol is sourced from PubChem (CID 71624549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).