4-[2-[3-[2-(3-propylphenyl)propyl]phenyl]propyl]phenol

C27H32O — CID 162462140

IUPAC4-[2-[3-[2-(3-propylphenyl)propyl]phenyl]propyl]phenol
SMILESCCCc1cccc(C(C)Cc2cccc(C(C)Cc3ccc(O)cc3)c2)c1
InChIInChI=1S/C27H32O/c1-4-7-22-8-5-10-25(18-22)21(3)17-24-9-6-11-26(19-24)20(2)16-23-12-14-27(28)15-13-23/h5-6,8-15,18-21,28H,4,7,16-17H2,1-3H3
InChIKeyOLMXJYIDPZUYIN-UHFFFAOYSA-N
MW372.55 g/mol
LogP7.04
Rot. Bonds8

About 4-[2-[3-[2-(3-propylphenyl)propyl]phenyl]propyl]phenol

4-[2-[3-[2-(3-propylphenyl)propyl]phenyl]propyl]phenol (PubChem CID 162462140) has the molecular formula C27H32O and a molecular weight of 372.55 g/mol. Its IUPAC name is 4-[2-[3-[2-(3-propylphenyl)propyl]phenyl]propyl]phenol.

Molecular Properties

Compound Name4-[2-[3-[2-(3-propylphenyl)propyl]phenyl]propyl]phenol
PubChem CID162462140
Molecular FormulaC27H32O
Molecular Weight372.55 g/mol
Exact Mass372.25
IUPAC Name4-[2-[3-[2-(3-propylphenyl)propyl]phenyl]propyl]phenol
SMILESCCCc1cccc(C(C)Cc2cccc(C(C)Cc3ccc(O)cc3)c2)c1
InChIInChI=1S/C27H32O/c1-4-7-22-8-5-10-25(18-22)21(3)17-24-9-6-11-26(19-24)20(2)16-23-12-14-27(28)15-13-23/h5-6,8-15,18-21,28H,4,7,16-17H2,1-3H3
InChIKeyOLMXJYIDPZUYIN-UHFFFAOYSA-N
XLogP7.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.55
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2R)-2-(3-aminophenyl)propyl]phenol
CID 174733885
1-ethyl-3-(1-phenylpropan-2-yl)benzene
CID 91139007
1-(1-phenylpropan-2-yl)-4-propylbenzene
CID 57021691
1-(3-propylphenyl)ethanamine
CID 116543909
3-methyl-4-(3-propylphenyl)butan-2-one
CID 126489202
2,4-bis[1-(4-hydroxyphenyl)propan-2-yl]phenol
CID 69188652
phenol;3-propylphenol
CID 66960022
1-(3-chlorobutan-2-yl)-3-propylbenzene
CID 116545543
N-methyl-1-(3-propylphenyl)ethanamine
CID 59900502
(4-ethylphenyl)-(3-propylphenyl)methanol
CID 116542443
1-(2-hydroperoxypropyl)-3-propylbenzene
CID 88531628
2-(3-propylphenyl)propanal
CID 105436614

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[2-(3-propylphenyl)propyl]phenyl]propyl]phenol?
The IUPAC name of 4-[2-[3-[2-(3-propylphenyl)propyl]phenyl]propyl]phenol (CID 162462140) is 4-[2-[3-[2-(3-propylphenyl)propyl]phenyl]propyl]phenol.
What is the SMILES notation for 4-[2-[3-[2-(3-propylphenyl)propyl]phenyl]propyl]phenol?
The canonical SMILES for 4-[2-[3-[2-(3-propylphenyl)propyl]phenyl]propyl]phenol is CCCc1cccc(C(C)Cc2cccc(C(C)Cc3ccc(O)cc3)c2)c1.
What is the InChIKey of 4-[2-[3-[2-(3-propylphenyl)propyl]phenyl]propyl]phenol?
The InChIKey is OLMXJYIDPZUYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O/c1-4-7-22-8-5-10-25(18-22)21(3)17-24-9-6-11-26(19-24)20(2)16-23-12-14-27(28)15-13-23/h5-6,8-15,18-21,28H,4,7,16-17H2,1-3H3.
What are the key properties of 4-[2-[3-[2-(3-propylphenyl)propyl]phenyl]propyl]phenol?
4-[2-[3-[2-(3-propylphenyl)propyl]phenyl]propyl]phenol has a molecular weight of 372.55 g/mol, XLogP of 7.04, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[2-(3-propylphenyl)propyl]phenyl]propyl]phenol is sourced from PubChem (CID 162462140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).