2-[2-[2-(3,4-dimethoxyphenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol

C34H38O6 — CID 23147397

IUPAC2-[2-[2-(3,4-dimethoxyphenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol
SMILESCCc1c(OCc2ccccc2)cc(OCc2ccccc2)c(-c2ccc(OC)c(OC)c2)c1CCOCCO
InChIInChI=1S/C34H38O6/c1-4-28-29(17-19-38-20-18-35)34(27-15-16-30(36-2)32(21-27)37-3)33(40-24-26-13-9-6-10-14-26)22-31(28)39-23-25-11-7-5-8-12-25/h5-16,21-22,35H,4,17-20,23-24H2,1-3H3
InChIKeyXRSCOUDLCGWBHU-UHFFFAOYSA-N
MW542.67 g/mol
LogP6.64
Rot. Bonds15

About 2-[2-[2-(3,4-dimethoxyphenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol

2-[2-[2-(3,4-dimethoxyphenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol (PubChem CID 23147397) has the molecular formula C34H38O6 and a molecular weight of 542.67 g/mol. Its IUPAC name is 2-[2-[2-(3,4-dimethoxyphenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(3,4-dimethoxyphenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol
PubChem CID23147397
Molecular FormulaC34H38O6
Molecular Weight542.67 g/mol
Exact Mass542.27
IUPAC Name2-[2-[2-(3,4-dimethoxyphenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol
SMILESCCc1c(OCc2ccccc2)cc(OCc2ccccc2)c(-c2ccc(OC)c(OC)c2)c1CCOCCO
InChIInChI=1S/C34H38O6/c1-4-28-29(17-19-38-20-18-35)34(27-15-16-30(36-2)32(21-27)37-3)33(40-24-26-13-9-6-10-14-26)22-31(28)39-23-25-11-7-5-8-12-25/h5-16,21-22,35H,4,17-20,23-24H2,1-3H3
InChIKeyXRSCOUDLCGWBHU-UHFFFAOYSA-N
XLogP6.64
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.67
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4,5-dimethoxy-2-phenylmethoxyphenyl)methanol
CID 53441132
(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol
CID 171214375
3-(3,4-dimethoxyphenyl)-4-phenylmethoxyaniline
CID 169408827
[6-ethyl-10-phenylmethoxy-5-(4-phenylmethoxyphenyl)-11-azatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaen-3-yl]methanol
CID 18707037
2-chloro-3-ethyl-4,6-bis(phenylmethoxy)pyridine
CID 89421768
5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210
2-methoxy-4-(2-methoxyethyl)-1-phenylmethoxybenzene
CID 135032978
2-(2-methoxyethoxy)ethanol;2-phenylmethoxyethanol
CID 138692115
(4S,5S)-2-[[2-ethyl-6-(4-fluoro-3-methylphenyl)-3,5-bis(phenylmethoxy)phenyl]methyl]-4,5-bis(phenylmethoxy)-1,3-dioxolane
CID 87661885
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
ethanol;1-ethoxy-4-ethyl-2-methoxybenzene;2-(2-methoxyphenoxy)ethanol
CID 145133787
2-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]acetic acid
CID 22930517

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3,4-dimethoxyphenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(3,4-dimethoxyphenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol (CID 23147397) is 2-[2-[2-(3,4-dimethoxyphenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(3,4-dimethoxyphenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(3,4-dimethoxyphenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol is CCc1c(OCc2ccccc2)cc(OCc2ccccc2)c(-c2ccc(OC)c(OC)c2)c1CCOCCO.
What is the InChIKey of 2-[2-[2-(3,4-dimethoxyphenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol?
The InChIKey is XRSCOUDLCGWBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38O6/c1-4-28-29(17-19-38-20-18-35)34(27-15-16-30(36-2)32(21-27)37-3)33(40-24-26-13-9-6-10-14-26)22-31(28)39-23-25-11-7-5-8-12-25/h5-16,21-22,35H,4,17-20,23-24H2,1-3H3.
What are the key properties of 2-[2-[2-(3,4-dimethoxyphenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol?
2-[2-[2-(3,4-dimethoxyphenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol has a molecular weight of 542.67 g/mol, XLogP of 6.64, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3,4-dimethoxyphenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol is sourced from PubChem (CID 23147397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).