1-[4-[3-(4-methoxy-3-methylphenyl)pentan-3-yl]phenoxy]-2,3-dimethylpentan-3-ol

C26H38O3 — CID 143054622

IUPAC1-[4-[3-(4-methoxy-3-methylphenyl)pentan-3-yl]phenoxy]-2,3-dimethylpentan-3-ol
SMILESCCC(CC)(c1ccc(OCC(C)C(C)(O)CC)cc1)c1ccc(OC)c(C)c1
InChIInChI=1S/C26H38O3/c1-8-25(6,27)20(5)18-29-23-14-11-21(12-15-23)26(9-2,10-3)22-13-16-24(28-7)19(4)17-22/h11-17,20,27H,8-10,18H2,1-7H3
InChIKeyFNDJSTQDSQTTIL-UHFFFAOYSA-N
MW398.59 g/mol
LogP6.29
Rot. Bonds10

About 1-[4-[3-(4-methoxy-3-methylphenyl)pentan-3-yl]phenoxy]-2,3-dimethylpentan-3-ol

1-[4-[3-(4-methoxy-3-methylphenyl)pentan-3-yl]phenoxy]-2,3-dimethylpentan-3-ol (PubChem CID 143054622) has the molecular formula C26H38O3 and a molecular weight of 398.59 g/mol. Its IUPAC name is 1-[4-[3-(4-methoxy-3-methylphenyl)pentan-3-yl]phenoxy]-2,3-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-[4-[3-(4-methoxy-3-methylphenyl)pentan-3-yl]phenoxy]-2,3-dimethylpentan-3-ol
PubChem CID143054622
Molecular FormulaC26H38O3
Molecular Weight398.59 g/mol
Exact Mass398.28
IUPAC Name1-[4-[3-(4-methoxy-3-methylphenyl)pentan-3-yl]phenoxy]-2,3-dimethylpentan-3-ol
SMILESCCC(CC)(c1ccc(OCC(C)C(C)(O)CC)cc1)c1ccc(OC)c(C)c1
InChIInChI=1S/C26H38O3/c1-8-25(6,27)20(5)18-29-23-14-11-21(12-15-23)26(9-2,10-3)22-13-16-24(28-7)19(4)17-22/h11-17,20,27H,8-10,18H2,1-7H3
InChIKeyFNDJSTQDSQTTIL-UHFFFAOYSA-N
XLogP6.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.59
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[3-(4-methoxy-3-methylphenyl)pentan-3-yl]phenoxy]-2,3-dimethylpentan-3-ol with MolForge

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Related Compounds

(2R)-2-(4-methoxy-3-methylphenyl)butan-2-ol
CID 97294196
(2R)-2-(4-methoxy-3-methylphenyl)pentan-2-ol
CID 97294322
4-[3-(4-methoxyphenyl)pentan-3-yl]-2-methylphenol
CID 58775978
2-(4-methoxy-3-methylphenyl)butan-2-amine
CID 82469033
2-(4-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82125771
1-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]-3,3-dimethylbutan-2-one
CID 15521396
2-[[4-[3-[4-(2-ethyl-2-hydroxybutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]methyl]propane-1,3-diol
CID 155566184
3,3-dimethyl-1-[2-methyl-4-[3-(4-methylsulfanyloxyphenyl)pentan-3-yl]phenoxy]butan-2-one
CID 143054655
4-[3-(4-hydroxy-3-methoxyphenyl)pentan-3-yl]-2-methoxyphenol
CID 118523796
(2S)-3-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]propane-1,2-diol
CID 102573858
4-[3-(3,4-dimethylphenyl)pentan-3-yl]-1,2-dimethylbenzene
CID 58775966
tert-butyl 2-[4-[3-[4-[(2S)-2-(2-hydroxypropan-2-yloxy)propoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]acetate
CID 143106942

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-methoxy-3-methylphenyl)pentan-3-yl]phenoxy]-2,3-dimethylpentan-3-ol?
The IUPAC name of 1-[4-[3-(4-methoxy-3-methylphenyl)pentan-3-yl]phenoxy]-2,3-dimethylpentan-3-ol (CID 143054622) is 1-[4-[3-(4-methoxy-3-methylphenyl)pentan-3-yl]phenoxy]-2,3-dimethylpentan-3-ol.
What is the SMILES notation for 1-[4-[3-(4-methoxy-3-methylphenyl)pentan-3-yl]phenoxy]-2,3-dimethylpentan-3-ol?
The canonical SMILES for 1-[4-[3-(4-methoxy-3-methylphenyl)pentan-3-yl]phenoxy]-2,3-dimethylpentan-3-ol is CCC(CC)(c1ccc(OCC(C)C(C)(O)CC)cc1)c1ccc(OC)c(C)c1.
What is the InChIKey of 1-[4-[3-(4-methoxy-3-methylphenyl)pentan-3-yl]phenoxy]-2,3-dimethylpentan-3-ol?
The InChIKey is FNDJSTQDSQTTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O3/c1-8-25(6,27)20(5)18-29-23-14-11-21(12-15-23)26(9-2,10-3)22-13-16-24(28-7)19(4)17-22/h11-17,20,27H,8-10,18H2,1-7H3.
What are the key properties of 1-[4-[3-(4-methoxy-3-methylphenyl)pentan-3-yl]phenoxy]-2,3-dimethylpentan-3-ol?
1-[4-[3-(4-methoxy-3-methylphenyl)pentan-3-yl]phenoxy]-2,3-dimethylpentan-3-ol has a molecular weight of 398.59 g/mol, XLogP of 6.29, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-methoxy-3-methylphenyl)pentan-3-yl]phenoxy]-2,3-dimethylpentan-3-ol is sourced from PubChem (CID 143054622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).