2-[4-[4-[2-(2-methoxyethoxy)-4-methylphenyl]phenyl]-3-methylphenyl]ethanol

C25H28O3 — CID 145122060

IUPAC2-[4-[4-[2-(2-methoxyethoxy)-4-methylphenyl]phenyl]-3-methylphenyl]ethanol
SMILESCOCCOc1cc(C)ccc1-c1ccc(-c2ccc(CCO)cc2C)cc1
InChIInChI=1S/C25H28O3/c1-18-4-10-24(25(16-18)28-15-14-27-3)22-8-6-21(7-9-22)23-11-5-20(12-13-26)17-19(23)2/h4-11,16-17,26H,12-15H2,1-3H3
InChIKeySDZJEHUYIWUKRF-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.20
Rot. Bonds8

About 2-[4-[4-[2-(2-methoxyethoxy)-4-methylphenyl]phenyl]-3-methylphenyl]ethanol

2-[4-[4-[2-(2-methoxyethoxy)-4-methylphenyl]phenyl]-3-methylphenyl]ethanol (PubChem CID 145122060) has the molecular formula C25H28O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[4-[4-[2-(2-methoxyethoxy)-4-methylphenyl]phenyl]-3-methylphenyl]ethanol.

Molecular Properties

Compound Name2-[4-[4-[2-(2-methoxyethoxy)-4-methylphenyl]phenyl]-3-methylphenyl]ethanol
PubChem CID145122060
Molecular FormulaC25H28O3
Molecular Weight376.50 g/mol
Exact Mass376.20
IUPAC Name2-[4-[4-[2-(2-methoxyethoxy)-4-methylphenyl]phenyl]-3-methylphenyl]ethanol
SMILESCOCCOc1cc(C)ccc1-c1ccc(-c2ccc(CCO)cc2C)cc1
InChIInChI=1S/C25H28O3/c1-18-4-10-24(25(16-18)28-15-14-27-3)22-8-6-21(7-9-22)23-11-5-20(12-13-26)17-19(23)2/h4-11,16-17,26H,12-15H2,1-3H3
InChIKeySDZJEHUYIWUKRF-UHFFFAOYSA-N
XLogP5.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-[4-[4-hydroxy-3-(hydroxymethyl)butyl]-2-methylphenyl]phenyl]-5-methylphenoxy]ethyl 2-methylprop-2-enoate
CID 145122174
2-[4-[2-(methoxymethyl)-4-methylphenyl]-3-methylphenyl]ethanol
CID 145122544
2-[2-[4-(hydroxymethyl)phenyl]-5-methylphenoxy]ethyl 2-methylprop-2-enoate
CID 134200446
2-[3-(hydroxymethyl)-4-(2-methoxyethoxy)phenyl]ethanol
CID 58235144
[4-(2,4-dimethylphenyl)-3-(2-methoxyethoxy)phenyl]methanol;2-methylprop-2-enal
CID 145122895
[3-(2-methoxyethoxy)-4-methylphenyl]methanol
CID 118408450
2-(2-methoxyethoxy)-5-methylphenol
CID 89108915
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
3-[3-methyl-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]propanoic acid
CID 118564200
4-(2-methoxyethyl)-2-methylphenol
CID 19977526
2,4-bis[2-butoxy-4-(2-hydroxyethyl)phenyl]cyclobuta-1,3-diene-1,3-diol
CID 172715824
2-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]ethanol
CID 68603609

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-(2-methoxyethoxy)-4-methylphenyl]phenyl]-3-methylphenyl]ethanol?
The IUPAC name of 2-[4-[4-[2-(2-methoxyethoxy)-4-methylphenyl]phenyl]-3-methylphenyl]ethanol (CID 145122060) is 2-[4-[4-[2-(2-methoxyethoxy)-4-methylphenyl]phenyl]-3-methylphenyl]ethanol.
What is the SMILES notation for 2-[4-[4-[2-(2-methoxyethoxy)-4-methylphenyl]phenyl]-3-methylphenyl]ethanol?
The canonical SMILES for 2-[4-[4-[2-(2-methoxyethoxy)-4-methylphenyl]phenyl]-3-methylphenyl]ethanol is COCCOc1cc(C)ccc1-c1ccc(-c2ccc(CCO)cc2C)cc1.
What is the InChIKey of 2-[4-[4-[2-(2-methoxyethoxy)-4-methylphenyl]phenyl]-3-methylphenyl]ethanol?
The InChIKey is SDZJEHUYIWUKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O3/c1-18-4-10-24(25(16-18)28-15-14-27-3)22-8-6-21(7-9-22)23-11-5-20(12-13-26)17-19(23)2/h4-11,16-17,26H,12-15H2,1-3H3.
What are the key properties of 2-[4-[4-[2-(2-methoxyethoxy)-4-methylphenyl]phenyl]-3-methylphenyl]ethanol?
2-[4-[4-[2-(2-methoxyethoxy)-4-methylphenyl]phenyl]-3-methylphenyl]ethanol has a molecular weight of 376.50 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-(2-methoxyethoxy)-4-methylphenyl]phenyl]-3-methylphenyl]ethanol is sourced from PubChem (CID 145122060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).