4-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol

C27H32O — CID 66867219

IUPAC4-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol
SMILESCC(C)(c1ccccc1)C(CCc1ccc(O)cc1)C(C)(C)c1ccccc1
InChIInChI=1S/C27H32O/c1-26(2,22-11-7-5-8-12-22)25(20-17-21-15-18-24(28)19-16-21)27(3,4)23-13-9-6-10-14-23/h5-16,18-19,25,28H,17,20H2,1-4H3
InChIKeyPDMCTFRXUGUZMW-UHFFFAOYSA-N
MW372.55 g/mol
LogP6.90
Rot. Bonds7

About 4-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol

4-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol (PubChem CID 66867219) has the molecular formula C27H32O and a molecular weight of 372.55 g/mol. Its IUPAC name is 4-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol.

Molecular Properties

Compound Name4-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol
PubChem CID66867219
Molecular FormulaC27H32O
Molecular Weight372.55 g/mol
Exact Mass372.25
IUPAC Name4-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol
SMILESCC(C)(c1ccccc1)C(CCc1ccc(O)cc1)C(C)(C)c1ccccc1
InChIInChI=1S/C27H32O/c1-26(2,22-11-7-5-8-12-22)25(20-17-21-15-18-24(28)19-16-21)27(3,4)23-13-9-6-10-14-23/h5-16,18-19,25,28H,17,20H2,1-4H3
InChIKeyPDMCTFRXUGUZMW-UHFFFAOYSA-N
XLogP6.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.55
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[6-methyl-6-phenyl-5-(2-phenylpropan-2-yl)heptyl]phenol
CID 66866176
2-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol
CID 66867217
(3-tert-butyl-4,4-dimethylpentyl)benzene
CID 54223968
4-(3-hydroxy-3-phenylpropyl)phenol
CID 54456955
1-[3-(4-hydroxyphenyl)propyl]-3-(3-methyl-3-phenylbutan-2-yl)urea
CID 86973264
4-[1-(4-hydroxyphenyl)-3-phenylpropyl]phenol
CID 13030783
4-(4-methylpentyl)phenol;phenol
CID 174866001
4-[2-(4-hydroxyphenyl)-4-phenylbutan-2-yl]phenol
CID 14250443
4-nonylphenol;4-(2-phenylpropan-2-yl)phenol
CID 19993999
4-(3,3-dimethoxy-3-phenylpropyl)phenol
CID 175486345
(3R,5R)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol
CID 11034432
4-(3,5-dimethyloctyl)phenol
CID 174906830

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol?
The IUPAC name of 4-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol (CID 66867219) is 4-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol.
What is the SMILES notation for 4-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol?
The canonical SMILES for 4-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol is CC(C)(c1ccccc1)C(CCc1ccc(O)cc1)C(C)(C)c1ccccc1.
What is the InChIKey of 4-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol?
The InChIKey is PDMCTFRXUGUZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O/c1-26(2,22-11-7-5-8-12-22)25(20-17-21-15-18-24(28)19-16-21)27(3,4)23-13-9-6-10-14-23/h5-16,18-19,25,28H,17,20H2,1-4H3.
What are the key properties of 4-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol?
4-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol has a molecular weight of 372.55 g/mol, XLogP of 6.90, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol is sourced from PubChem (CID 66867219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).