1-[4-[2-(2-hydroxypropoxy)-5-(2-hydroxypropyl)-3-methoxyphenoxy]-3-methoxyphenyl]propan-2-ol

C23H32O7 — CID 162663426

IUPAC1-[4-[2-(2-hydroxypropoxy)-5-(2-hydroxypropyl)-3-methoxyphenoxy]-3-methoxyphenyl]propan-2-ol
SMILESCOc1cc(CC(C)O)ccc1Oc1cc(CC(C)O)cc(OC)c1OCC(C)O
InChIInChI=1S/C23H32O7/c1-14(24)8-17-6-7-19(20(10-17)27-4)30-22-12-18(9-15(2)25)11-21(28-5)23(22)29-13-16(3)26/h6-7,10-12,14-16,24-26H,8-9,13H2,1-5H3
InChIKeySMEOZVCTWROBRV-UHFFFAOYSA-N
MW420.50 g/mol
LogP3.10
Rot. Bonds11

About 1-[4-[2-(2-hydroxypropoxy)-5-(2-hydroxypropyl)-3-methoxyphenoxy]-3-methoxyphenyl]propan-2-ol

1-[4-[2-(2-hydroxypropoxy)-5-(2-hydroxypropyl)-3-methoxyphenoxy]-3-methoxyphenyl]propan-2-ol (PubChem CID 162663426) has the molecular formula C23H32O7 and a molecular weight of 420.50 g/mol. Its IUPAC name is 1-[4-[2-(2-hydroxypropoxy)-5-(2-hydroxypropyl)-3-methoxyphenoxy]-3-methoxyphenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[2-(2-hydroxypropoxy)-5-(2-hydroxypropyl)-3-methoxyphenoxy]-3-methoxyphenyl]propan-2-ol
PubChem CID162663426
Molecular FormulaC23H32O7
Molecular Weight420.50 g/mol
Exact Mass420.21
IUPAC Name1-[4-[2-(2-hydroxypropoxy)-5-(2-hydroxypropyl)-3-methoxyphenoxy]-3-methoxyphenyl]propan-2-ol
SMILESCOc1cc(CC(C)O)ccc1Oc1cc(CC(C)O)cc(OC)c1OCC(C)O
InChIInChI=1S/C23H32O7/c1-14(24)8-17-6-7-19(20(10-17)27-4)30-22-12-18(9-15(2)25)11-21(28-5)23(22)29-13-16(3)26/h6-7,10-12,14-16,24-26H,8-9,13H2,1-5H3
InChIKeySMEOZVCTWROBRV-UHFFFAOYSA-N
XLogP3.10
TPSA97.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-hydroxypropoxy)-5-(2-hydroxypropyl)-3-methoxyphenoxy]-3-methoxyphenyl]propan-2-ol?
The IUPAC name of 1-[4-[2-(2-hydroxypropoxy)-5-(2-hydroxypropyl)-3-methoxyphenoxy]-3-methoxyphenyl]propan-2-ol (CID 162663426) is 1-[4-[2-(2-hydroxypropoxy)-5-(2-hydroxypropyl)-3-methoxyphenoxy]-3-methoxyphenyl]propan-2-ol.
What is the SMILES notation for 1-[4-[2-(2-hydroxypropoxy)-5-(2-hydroxypropyl)-3-methoxyphenoxy]-3-methoxyphenyl]propan-2-ol?
The canonical SMILES for 1-[4-[2-(2-hydroxypropoxy)-5-(2-hydroxypropyl)-3-methoxyphenoxy]-3-methoxyphenyl]propan-2-ol is COc1cc(CC(C)O)ccc1Oc1cc(CC(C)O)cc(OC)c1OCC(C)O.
What is the InChIKey of 1-[4-[2-(2-hydroxypropoxy)-5-(2-hydroxypropyl)-3-methoxyphenoxy]-3-methoxyphenyl]propan-2-ol?
The InChIKey is SMEOZVCTWROBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O7/c1-14(24)8-17-6-7-19(20(10-17)27-4)30-22-12-18(9-15(2)25)11-21(28-5)23(22)29-13-16(3)26/h6-7,10-12,14-16,24-26H,8-9,13H2,1-5H3.
What are the key properties of 1-[4-[2-(2-hydroxypropoxy)-5-(2-hydroxypropyl)-3-methoxyphenoxy]-3-methoxyphenyl]propan-2-ol?
1-[4-[2-(2-hydroxypropoxy)-5-(2-hydroxypropyl)-3-methoxyphenoxy]-3-methoxyphenyl]propan-2-ol has a molecular weight of 420.50 g/mol, XLogP of 3.10, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-hydroxypropoxy)-5-(2-hydroxypropyl)-3-methoxyphenoxy]-3-methoxyphenyl]propan-2-ol is sourced from PubChem (CID 162663426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).