2,3-bis(2,3,4-tripropylphenoxy)phenol

C36H50O3 — CID 67179385

IUPAC2,3-bis(2,3,4-tripropylphenoxy)phenol
SMILESCCCc1ccc(Oc2cccc(O)c2Oc2ccc(CCC)c(CCC)c2CCC)c(CCC)c1CCC
InChIInChI=1S/C36H50O3/c1-7-14-26-22-24-33(30(18-11-5)28(26)16-9-3)38-35-21-13-20-32(37)36(35)39-34-25-23-27(15-8-2)29(17-10-4)31(34)19-12-6/h13,20-25,37H,7-12,14-19H2,1-6H3
InChIKeyNEJCCECDQXQXKG-UHFFFAOYSA-N
MW530.79 g/mol
LogP10.69
Rot. Bonds16

About 2,3-bis(2,3,4-tripropylphenoxy)phenol

2,3-bis(2,3,4-tripropylphenoxy)phenol (PubChem CID 67179385) has the molecular formula C36H50O3 and a molecular weight of 530.79 g/mol. Its IUPAC name is 2,3-bis(2,3,4-tripropylphenoxy)phenol.

Molecular Properties

Compound Name2,3-bis(2,3,4-tripropylphenoxy)phenol
PubChem CID67179385
Molecular FormulaC36H50O3
Molecular Weight530.79 g/mol
Exact Mass530.38
IUPAC Name2,3-bis(2,3,4-tripropylphenoxy)phenol
SMILESCCCc1ccc(Oc2cccc(O)c2Oc2ccc(CCC)c(CCC)c2CCC)c(CCC)c1CCC
InChIInChI=1S/C36H50O3/c1-7-14-26-22-24-33(30(18-11-5)28(26)16-9-3)38-35-21-13-20-32(37)36(35)39-34-25-23-27(15-8-2)29(17-10-4)31(34)19-12-6/h13,20-25,37H,7-12,14-19H2,1-6H3
InChIKeyNEJCCECDQXQXKG-UHFFFAOYSA-N
XLogP10.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.79
LogP ≤ 510.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4-tris(2,3,4-tributylphenoxy)phenol
CID 67178539
2-[(2,3-dipropylphenoxy)methyl]phenol
CID 67181390
2-[2-(2,3-dipropylphenoxy)phenyl]acetic acid
CID 21113142
3-methoxy-2-propylphenol
CID 10607156
3-ethyl-2-methoxy-4-propylphenol
CID 67547848
2-(2-ethylphenoxy)benzene-1,3-diol
CID 23109139
4-naphthalen-1-yloxynaphthalen-1-ol
CID 69008300
1-bromo-3-(3-bromo-2-propylphenoxy)-2-propylbenzene
CID 172704493
2-pentyl-3,4-dipropylphenol
CID 66866454
2-(2,3,4-triethylphenoxy)phenol
CID 67179533
2-[2,3-bis(2-hydroxyphenoxy)phenoxy]phenol
CID 139940614
[2-(hydroxymethyl)-3-propylphenyl]methanol
CID 118644202

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2,3,4-tripropylphenoxy)phenol?
The IUPAC name of 2,3-bis(2,3,4-tripropylphenoxy)phenol (CID 67179385) is 2,3-bis(2,3,4-tripropylphenoxy)phenol.
What is the SMILES notation for 2,3-bis(2,3,4-tripropylphenoxy)phenol?
The canonical SMILES for 2,3-bis(2,3,4-tripropylphenoxy)phenol is CCCc1ccc(Oc2cccc(O)c2Oc2ccc(CCC)c(CCC)c2CCC)c(CCC)c1CCC.
What is the InChIKey of 2,3-bis(2,3,4-tripropylphenoxy)phenol?
The InChIKey is NEJCCECDQXQXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H50O3/c1-7-14-26-22-24-33(30(18-11-5)28(26)16-9-3)38-35-21-13-20-32(37)36(35)39-34-25-23-27(15-8-2)29(17-10-4)31(34)19-12-6/h13,20-25,37H,7-12,14-19H2,1-6H3.
What are the key properties of 2,3-bis(2,3,4-tripropylphenoxy)phenol?
2,3-bis(2,3,4-tripropylphenoxy)phenol has a molecular weight of 530.79 g/mol, XLogP of 10.69, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2,3,4-tripropylphenoxy)phenol is sourced from PubChem (CID 67179385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).