2,3-bis[2-(2,3,4-tripropylphenyl)propyl]phenol

C42H62O — CID 67224254

IUPAC2,3-bis[2-(2,3,4-tripropylphenyl)propyl]phenol
SMILESCCCc1ccc(C(C)Cc2cccc(O)c2CC(C)c2ccc(CCC)c(CCC)c2CCC)c(CCC)c1CCC
InChIInChI=1S/C42H62O/c1-9-16-32-24-26-35(39(20-13-5)37(32)18-11-3)30(7)28-34-22-15-23-42(43)41(34)29-31(8)36-27-25-33(17-10-2)38(19-12-4)40(36)21-14-6/h15,22-27,30-31,43H,9-14,16-21,28-29H2,1-8H3
InChIKeyNITBBMLSHPVDII-UHFFFAOYSA-N
MW582.96 g/mol
LogP11.80
Rot. Bonds18

About 2,3-bis[2-(2,3,4-tripropylphenyl)propyl]phenol

2,3-bis[2-(2,3,4-tripropylphenyl)propyl]phenol (PubChem CID 67224254) has the molecular formula C42H62O and a molecular weight of 582.96 g/mol. Its IUPAC name is 2,3-bis[2-(2,3,4-tripropylphenyl)propyl]phenol.

Molecular Properties

Compound Name2,3-bis[2-(2,3,4-tripropylphenyl)propyl]phenol
PubChem CID67224254
Molecular FormulaC42H62O
Molecular Weight582.96 g/mol
Exact Mass582.48
IUPAC Name2,3-bis[2-(2,3,4-tripropylphenyl)propyl]phenol
SMILESCCCc1ccc(C(C)Cc2cccc(O)c2CC(C)c2ccc(CCC)c(CCC)c2CCC)c(CCC)c1CCC
InChIInChI=1S/C42H62O/c1-9-16-32-24-26-35(39(20-13-5)37(32)18-11-3)30(7)28-34-22-15-23-42(43)41(34)29-31(8)36-27-25-33(17-10-2)38(19-12-4)40(36)21-14-6/h15,22-27,30-31,43H,9-14,16-21,28-29H2,1-8H3
InChIKeyNITBBMLSHPVDII-UHFFFAOYSA-N
XLogP11.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.96
LogP ≤ 511.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(2,3-dipropylphenyl)propan-2-yl]phenol
CID 67252187
2,3,4-tris[2-(2,3,4-tributylphenyl)propyl]phenol
CID 87315332
2,3-bis[2-(2-hexylphenyl)propyl]phenol
CID 67225670
2,3-bis[2-(2-nonylphenyl)propyl]phenol
CID 67225737
2,3,4-tris[2-(2-butylphenyl)propyl]phenol
CID 67224382
2-pentyl-3,4-dipropylphenol
CID 66866454
2-prop-2-enyl-3-propylphenol
CID 19877308
2-decyl-3-(2-methylpropyl)phenol
CID 159869445
2,3,4-tris[1-(2-butylphenyl)propan-2-yl]phenol
CID 67250240
2-ethylbenzene-1,3-diol;2-propylbenzene-1,3-diol
CID 159775903
2,3-bis(2,3,4-tripropylphenoxy)phenol
CID 67179385
6-(3-hydroxy-2-propylphenyl)hexanenitrile
CID 86162180

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[2-(2,3,4-tripropylphenyl)propyl]phenol?
The IUPAC name of 2,3-bis[2-(2,3,4-tripropylphenyl)propyl]phenol (CID 67224254) is 2,3-bis[2-(2,3,4-tripropylphenyl)propyl]phenol.
What is the SMILES notation for 2,3-bis[2-(2,3,4-tripropylphenyl)propyl]phenol?
The canonical SMILES for 2,3-bis[2-(2,3,4-tripropylphenyl)propyl]phenol is CCCc1ccc(C(C)Cc2cccc(O)c2CC(C)c2ccc(CCC)c(CCC)c2CCC)c(CCC)c1CCC.
What is the InChIKey of 2,3-bis[2-(2,3,4-tripropylphenyl)propyl]phenol?
The InChIKey is NITBBMLSHPVDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H62O/c1-9-16-32-24-26-35(39(20-13-5)37(32)18-11-3)30(7)28-34-22-15-23-42(43)41(34)29-31(8)36-27-25-33(17-10-2)38(19-12-4)40(36)21-14-6/h15,22-27,30-31,43H,9-14,16-21,28-29H2,1-8H3.
What are the key properties of 2,3-bis[2-(2,3,4-tripropylphenyl)propyl]phenol?
2,3-bis[2-(2,3,4-tripropylphenyl)propyl]phenol has a molecular weight of 582.96 g/mol, XLogP of 11.80, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[2-(2,3,4-tripropylphenyl)propyl]phenol is sourced from PubChem (CID 67224254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).