2-(ethoxymethyl)-4-[4-[3-(ethoxymethyl)-4-hydroxyphenyl]hexan-3-yl]phenol

C24H34O4 — CID 13147097

IUPAC2-(ethoxymethyl)-4-[4-[3-(ethoxymethyl)-4-hydroxyphenyl]hexan-3-yl]phenol
SMILESCCOCc1cc(C(CC)C(CC)c2ccc(O)c(COCC)c2)ccc1O
InChIInChI=1S/C24H34O4/c1-5-21(17-9-11-23(25)19(13-17)15-27-7-3)22(6-2)18-10-12-24(26)20(14-18)16-28-8-4/h9-14,21-22,25-26H,5-8,15-16H2,1-4H3
InChIKeyOCYPMSORGMTMPW-UHFFFAOYSA-N
MW386.53 g/mol
LogP5.86
Rot. Bonds11

About 2-(ethoxymethyl)-4-[4-[3-(ethoxymethyl)-4-hydroxyphenyl]hexan-3-yl]phenol

2-(ethoxymethyl)-4-[4-[3-(ethoxymethyl)-4-hydroxyphenyl]hexan-3-yl]phenol (PubChem CID 13147097) has the molecular formula C24H34O4 and a molecular weight of 386.53 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4-[4-[3-(ethoxymethyl)-4-hydroxyphenyl]hexan-3-yl]phenol.

Molecular Properties

Compound Name2-(ethoxymethyl)-4-[4-[3-(ethoxymethyl)-4-hydroxyphenyl]hexan-3-yl]phenol
PubChem CID13147097
Molecular FormulaC24H34O4
Molecular Weight386.53 g/mol
Exact Mass386.25
IUPAC Name2-(ethoxymethyl)-4-[4-[3-(ethoxymethyl)-4-hydroxyphenyl]hexan-3-yl]phenol
SMILESCCOCc1cc(C(CC)C(CC)c2ccc(O)c(COCC)c2)ccc1O
InChIInChI=1S/C24H34O4/c1-5-21(17-9-11-23(25)19(13-17)15-27-7-3)22(6-2)18-10-12-24(26)20(14-18)16-28-8-4/h9-14,21-22,25-26H,5-8,15-16H2,1-4H3
InChIKeyOCYPMSORGMTMPW-UHFFFAOYSA-N
XLogP5.86
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.53
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4-[4-[3-(ethoxymethyl)-4-hydroxyphenyl]hexan-3-yl]phenol?
The IUPAC name of 2-(ethoxymethyl)-4-[4-[3-(ethoxymethyl)-4-hydroxyphenyl]hexan-3-yl]phenol (CID 13147097) is 2-(ethoxymethyl)-4-[4-[3-(ethoxymethyl)-4-hydroxyphenyl]hexan-3-yl]phenol.
What is the SMILES notation for 2-(ethoxymethyl)-4-[4-[3-(ethoxymethyl)-4-hydroxyphenyl]hexan-3-yl]phenol?
The canonical SMILES for 2-(ethoxymethyl)-4-[4-[3-(ethoxymethyl)-4-hydroxyphenyl]hexan-3-yl]phenol is CCOCc1cc(C(CC)C(CC)c2ccc(O)c(COCC)c2)ccc1O.
What is the InChIKey of 2-(ethoxymethyl)-4-[4-[3-(ethoxymethyl)-4-hydroxyphenyl]hexan-3-yl]phenol?
The InChIKey is OCYPMSORGMTMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O4/c1-5-21(17-9-11-23(25)19(13-17)15-27-7-3)22(6-2)18-10-12-24(26)20(14-18)16-28-8-4/h9-14,21-22,25-26H,5-8,15-16H2,1-4H3.
What are the key properties of 2-(ethoxymethyl)-4-[4-[3-(ethoxymethyl)-4-hydroxyphenyl]hexan-3-yl]phenol?
2-(ethoxymethyl)-4-[4-[3-(ethoxymethyl)-4-hydroxyphenyl]hexan-3-yl]phenol has a molecular weight of 386.53 g/mol, XLogP of 5.86, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4-[4-[3-(ethoxymethyl)-4-hydroxyphenyl]hexan-3-yl]phenol is sourced from PubChem (CID 13147097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).