4-(2,2-dimethyl-1-phenylpropyl)-2-(1-hydroxy-2-methylpropan-2-yl)naphthalen-1-ol

C25H30O2 — CID 139326633

IUPAC4-(2,2-dimethyl-1-phenylpropyl)-2-(1-hydroxy-2-methylpropan-2-yl)naphthalen-1-ol
SMILESCC(C)(CO)c1cc(C(c2ccccc2)C(C)(C)C)c2ccccc2c1O
InChIInChI=1S/C25H30O2/c1-24(2,3)22(17-11-7-6-8-12-17)20-15-21(25(4,5)16-26)23(27)19-14-10-9-13-18(19)20/h6-15,22,26-27H,16H2,1-5H3
InChIKeyXKAYUYGBCGPGAD-UHFFFAOYSA-N
MW362.51 g/mol
LogP5.99
Rot. Bonds4

About 4-(2,2-dimethyl-1-phenylpropyl)-2-(1-hydroxy-2-methylpropan-2-yl)naphthalen-1-ol

4-(2,2-dimethyl-1-phenylpropyl)-2-(1-hydroxy-2-methylpropan-2-yl)naphthalen-1-ol (PubChem CID 139326633) has the molecular formula C25H30O2 and a molecular weight of 362.51 g/mol. Its IUPAC name is 4-(2,2-dimethyl-1-phenylpropyl)-2-(1-hydroxy-2-methylpropan-2-yl)naphthalen-1-ol.

Molecular Properties

Compound Name4-(2,2-dimethyl-1-phenylpropyl)-2-(1-hydroxy-2-methylpropan-2-yl)naphthalen-1-ol
PubChem CID139326633
Molecular FormulaC25H30O2
Molecular Weight362.51 g/mol
Exact Mass362.22
IUPAC Name4-(2,2-dimethyl-1-phenylpropyl)-2-(1-hydroxy-2-methylpropan-2-yl)naphthalen-1-ol
SMILESCC(C)(CO)c1cc(C(c2ccccc2)C(C)(C)C)c2ccccc2c1O
InChIInChI=1S/C25H30O2/c1-24(2,3)22(17-11-7-6-8-12-17)20-15-21(25(4,5)16-26)23(27)19-14-10-9-13-18(19)20/h6-15,22,26-27H,16H2,1-5H3
InChIKeyXKAYUYGBCGPGAD-UHFFFAOYSA-N
XLogP5.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.51
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3,3-diphenylpropan-1-ol
CID 15315706
2-[(1S)-2,2-dimethyl-1-phenylpropyl]-4-hydroxybenzonitrile
CID 129394082
2-[2-[1-[2-(1-hydroxy-2-methylpropan-2-yl)phenyl]propyl]phenyl]-2-methylpropan-1-ol
CID 70404837
2-tert-butyl-6-(2,2-dimethyl-1-phenylpropyl)-4-[2-[3-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 139528366
2-[2-(2-methoxypropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117113629
(2,2-dimethyl-1-phenylpropyl)benzene;2,2-dimethylpropylbenzene
CID 158424284
2-methyl-2-[methyl-(2-methyl-1-phenylpropyl)amino]propan-1-ol
CID 20583634
(2S)-2-(4-fluorophenyl)-2-methyl-3,3-diphenylpropan-1-ol
CID 135054788
2,6-ditert-butyl-4-[methylamino(phenyl)methyl]phenol
CID 139761917
2-[2,3-bis(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 67918759
2,3-dimethyl-1,1-diphenylbutane-2,3-diol
CID 141069653
2-[2-(2-hydroxyethoxy)-1,1-diphenylpropan-2-yl]oxyethanol
CID 89120579

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyl-1-phenylpropyl)-2-(1-hydroxy-2-methylpropan-2-yl)naphthalen-1-ol?
The IUPAC name of 4-(2,2-dimethyl-1-phenylpropyl)-2-(1-hydroxy-2-methylpropan-2-yl)naphthalen-1-ol (CID 139326633) is 4-(2,2-dimethyl-1-phenylpropyl)-2-(1-hydroxy-2-methylpropan-2-yl)naphthalen-1-ol.
What is the SMILES notation for 4-(2,2-dimethyl-1-phenylpropyl)-2-(1-hydroxy-2-methylpropan-2-yl)naphthalen-1-ol?
The canonical SMILES for 4-(2,2-dimethyl-1-phenylpropyl)-2-(1-hydroxy-2-methylpropan-2-yl)naphthalen-1-ol is CC(C)(CO)c1cc(C(c2ccccc2)C(C)(C)C)c2ccccc2c1O.
What is the InChIKey of 4-(2,2-dimethyl-1-phenylpropyl)-2-(1-hydroxy-2-methylpropan-2-yl)naphthalen-1-ol?
The InChIKey is XKAYUYGBCGPGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O2/c1-24(2,3)22(17-11-7-6-8-12-17)20-15-21(25(4,5)16-26)23(27)19-14-10-9-13-18(19)20/h6-15,22,26-27H,16H2,1-5H3.
What are the key properties of 4-(2,2-dimethyl-1-phenylpropyl)-2-(1-hydroxy-2-methylpropan-2-yl)naphthalen-1-ol?
4-(2,2-dimethyl-1-phenylpropyl)-2-(1-hydroxy-2-methylpropan-2-yl)naphthalen-1-ol has a molecular weight of 362.51 g/mol, XLogP of 5.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-1-phenylpropyl)-2-(1-hydroxy-2-methylpropan-2-yl)naphthalen-1-ol is sourced from PubChem (CID 139326633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).