2-[3-(2,4-diethoxyphenyl)propyl]-5-[(4-methoxyphenyl)methoxy]phenol

C27H32O5 — CID 139826466

IUPAC2-[3-(2,4-diethoxyphenyl)propyl]-5-[(4-methoxyphenyl)methoxy]phenol
SMILESCCOc1ccc(CCCc2ccc(OCc3ccc(OC)cc3)cc2O)c(OCC)c1
InChIInChI=1S/C27H32O5/c1-4-30-25-16-12-22(27(18-25)31-5-2)8-6-7-21-11-15-24(17-26(21)28)32-19-20-9-13-23(29-3)14-10-20/h9-18,28H,4-8,19H2,1-3H3
InChIKeyBLOYLRFMGQICNI-UHFFFAOYSA-N
MW436.55 g/mol
LogP5.95
Rot. Bonds12

About 2-[3-(2,4-diethoxyphenyl)propyl]-5-[(4-methoxyphenyl)methoxy]phenol

2-[3-(2,4-diethoxyphenyl)propyl]-5-[(4-methoxyphenyl)methoxy]phenol (PubChem CID 139826466) has the molecular formula C27H32O5 and a molecular weight of 436.55 g/mol. Its IUPAC name is 2-[3-(2,4-diethoxyphenyl)propyl]-5-[(4-methoxyphenyl)methoxy]phenol.

Molecular Properties

Compound Name2-[3-(2,4-diethoxyphenyl)propyl]-5-[(4-methoxyphenyl)methoxy]phenol
PubChem CID139826466
Molecular FormulaC27H32O5
Molecular Weight436.55 g/mol
Exact Mass436.22
IUPAC Name2-[3-(2,4-diethoxyphenyl)propyl]-5-[(4-methoxyphenyl)methoxy]phenol
SMILESCCOc1ccc(CCCc2ccc(OCc3ccc(OC)cc3)cc2O)c(OCC)c1
InChIInChI=1S/C27H32O5/c1-4-30-25-16-12-22(27(18-25)31-5-2)8-6-7-21-11-15-24(17-26(21)28)32-19-20-9-13-23(29-3)14-10-20/h9-18,28H,4-8,19H2,1-3H3
InChIKeyBLOYLRFMGQICNI-UHFFFAOYSA-N
XLogP5.95
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.55
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2,4-dimethoxyphenyl)propyl]-2-ethoxy-4-[(4-methoxyphenyl)methoxy]benzene
CID 139826698
1-[3-[2,4-bis(phenylmethoxy)phenyl]propyl]-2-ethoxy-4-phenylmethoxybenzene
CID 139826646
2,4-dimethoxy-1-[3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]propyl]benzene
CID 139826649
2,4-dimethoxy-1-[3-[2-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyphenyl]propyl]benzene
CID 139826525
1-[3-(2,4-dimethoxyphenyl)propyl]-4-ethoxy-2-methoxybenzene
CID 139826457
5-ethoxy-2-hexylphenol
CID 3021981
2-ethoxy-4-methoxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]benzene
CID 170021293
2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
CID 22087415
(2-ethoxy-4-methoxyphenyl)methanol
CID 61267380
5-methoxy-2-[(4-methoxyphenoxy)methyl]phenol
CID 117221300
4-ethoxy-2-methoxyphenol
CID 54107015
5-methoxy-2-propylphenol
CID 12836519

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-diethoxyphenyl)propyl]-5-[(4-methoxyphenyl)methoxy]phenol?
The IUPAC name of 2-[3-(2,4-diethoxyphenyl)propyl]-5-[(4-methoxyphenyl)methoxy]phenol (CID 139826466) is 2-[3-(2,4-diethoxyphenyl)propyl]-5-[(4-methoxyphenyl)methoxy]phenol.
What is the SMILES notation for 2-[3-(2,4-diethoxyphenyl)propyl]-5-[(4-methoxyphenyl)methoxy]phenol?
The canonical SMILES for 2-[3-(2,4-diethoxyphenyl)propyl]-5-[(4-methoxyphenyl)methoxy]phenol is CCOc1ccc(CCCc2ccc(OCc3ccc(OC)cc3)cc2O)c(OCC)c1.
What is the InChIKey of 2-[3-(2,4-diethoxyphenyl)propyl]-5-[(4-methoxyphenyl)methoxy]phenol?
The InChIKey is BLOYLRFMGQICNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O5/c1-4-30-25-16-12-22(27(18-25)31-5-2)8-6-7-21-11-15-24(17-26(21)28)32-19-20-9-13-23(29-3)14-10-20/h9-18,28H,4-8,19H2,1-3H3.
What are the key properties of 2-[3-(2,4-diethoxyphenyl)propyl]-5-[(4-methoxyphenyl)methoxy]phenol?
2-[3-(2,4-diethoxyphenyl)propyl]-5-[(4-methoxyphenyl)methoxy]phenol has a molecular weight of 436.55 g/mol, XLogP of 5.95, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-diethoxyphenyl)propyl]-5-[(4-methoxyphenyl)methoxy]phenol is sourced from PubChem (CID 139826466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).