2-[1-(2,3-dipropylphenyl)propan-2-yl]phenol

C21H28O — CID 67252187

IUPAC2-[1-(2,3-dipropylphenyl)propan-2-yl]phenol
SMILESCCCc1cccc(CC(C)c2ccccc2O)c1CCC
InChIInChI=1S/C21H28O/c1-4-9-17-11-8-12-18(20(17)10-5-2)15-16(3)19-13-6-7-14-21(19)22/h6-8,11-14,16,22H,4-5,9-10,15H2,1-3H3
InChIKeyJPKOTZRJLAEPBR-UHFFFAOYSA-N
MW296.45 g/mol
LogP5.64
Rot. Bonds7

About 2-[1-(2,3-dipropylphenyl)propan-2-yl]phenol

2-[1-(2,3-dipropylphenyl)propan-2-yl]phenol (PubChem CID 67252187) has the molecular formula C21H28O and a molecular weight of 296.45 g/mol. Its IUPAC name is 2-[1-(2,3-dipropylphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Name2-[1-(2,3-dipropylphenyl)propan-2-yl]phenol
PubChem CID67252187
Molecular FormulaC21H28O
Molecular Weight296.45 g/mol
Exact Mass296.21
IUPAC Name2-[1-(2,3-dipropylphenyl)propan-2-yl]phenol
SMILESCCCc1cccc(CC(C)c2ccccc2O)c1CCC
InChIInChI=1S/C21H28O/c1-4-9-17-11-8-12-18(20(17)10-5-2)15-16(3)19-13-6-7-14-21(19)22/h6-8,11-14,16,22H,4-5,9-10,15H2,1-3H3
InChIKeyJPKOTZRJLAEPBR-UHFFFAOYSA-N
XLogP5.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.45
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-bis[2-(2,3,4-tripropylphenyl)propyl]phenol
CID 67224254
2,3-bis[2-(2-hexylphenyl)propyl]phenol
CID 67225670
2,3-bis[2-(2-nonylphenyl)propyl]phenol
CID 67225737
1-(1-phenylpropan-2-yl)-2-propylbenzene
CID 18968363
2,3,4-tris[2-(2-butylphenyl)propyl]phenol
CID 67224382
2,3-bis[1-(2-ethylphenyl)propan-2-yl]phenol
CID 67182449
1-benzyl-2,3-dipropylbenzene
CID 22920914
2-butyl-1-propan-2-yl-3-propylbenzene
CID 173336292
2-[(1S)-1-aminoethyl]-6-propylphenol
CID 130625361
2-butan-2-ylphenol;formaldehyde
CID 66765994
1,2-di(propan-2-yl)-3-propylbenzene;hydrogen peroxide
CID 172751409
2,3,4-tris[1-(2-butylphenyl)propan-2-yl]phenol
CID 67250240

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dipropylphenyl)propan-2-yl]phenol?
The IUPAC name of 2-[1-(2,3-dipropylphenyl)propan-2-yl]phenol (CID 67252187) is 2-[1-(2,3-dipropylphenyl)propan-2-yl]phenol.
What is the SMILES notation for 2-[1-(2,3-dipropylphenyl)propan-2-yl]phenol?
The canonical SMILES for 2-[1-(2,3-dipropylphenyl)propan-2-yl]phenol is CCCc1cccc(CC(C)c2ccccc2O)c1CCC.
What is the InChIKey of 2-[1-(2,3-dipropylphenyl)propan-2-yl]phenol?
The InChIKey is JPKOTZRJLAEPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O/c1-4-9-17-11-8-12-18(20(17)10-5-2)15-16(3)19-13-6-7-14-21(19)22/h6-8,11-14,16,22H,4-5,9-10,15H2,1-3H3.
What are the key properties of 2-[1-(2,3-dipropylphenyl)propan-2-yl]phenol?
2-[1-(2,3-dipropylphenyl)propan-2-yl]phenol has a molecular weight of 296.45 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dipropylphenyl)propan-2-yl]phenol is sourced from PubChem (CID 67252187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).