2-(5-tert-butyl-2-phenylmethoxyphenyl)-2-methylpropan-1-ol

C21H28O2 — CID 59544164

IUPAC2-(5-tert-butyl-2-phenylmethoxyphenyl)-2-methylpropan-1-ol
SMILESCC(C)(C)c1ccc(OCc2ccccc2)c(C(C)(C)CO)c1
InChIInChI=1S/C21H28O2/c1-20(2,3)17-11-12-19(18(13-17)21(4,5)15-22)23-14-16-9-7-6-8-10-16/h6-13,22H,14-15H2,1-5H3
InChIKeyYLTXIQKPVBXYLH-UHFFFAOYSA-N
MW312.45 g/mol
LogP4.83
Rot. Bonds5

About 2-(5-tert-butyl-2-phenylmethoxyphenyl)-2-methylpropan-1-ol

2-(5-tert-butyl-2-phenylmethoxyphenyl)-2-methylpropan-1-ol (PubChem CID 59544164) has the molecular formula C21H28O2 and a molecular weight of 312.45 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-phenylmethoxyphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(5-tert-butyl-2-phenylmethoxyphenyl)-2-methylpropan-1-ol
PubChem CID59544164
Molecular FormulaC21H28O2
Molecular Weight312.45 g/mol
Exact Mass312.21
IUPAC Name2-(5-tert-butyl-2-phenylmethoxyphenyl)-2-methylpropan-1-ol
SMILESCC(C)(C)c1ccc(OCc2ccccc2)c(C(C)(C)CO)c1
InChIInChI=1S/C21H28O2/c1-20(2,3)17-11-12-19(18(13-17)21(4,5)15-22)23-14-16-9-7-6-8-10-16/h6-13,22H,14-15H2,1-5H3
InChIKeyYLTXIQKPVBXYLH-UHFFFAOYSA-N
XLogP4.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-5-phenylmethoxyphenyl]acetic acid
CID 155588642
4-tert-butyl-2-phenylmethoxyphenol
CID 18795860
2-bromo-4-tert-butyl-1-phenylmethoxybenzene
CID 15152030
1-(5-tert-butyl-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 170894728
N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-phenylacetohydrazide
CID 17356745
2-[2-methoxy-5-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117373100
1-tert-butyl-2-[(5-tert-butyl-2-phenylmethoxyphenyl)methoxymethyl]-5-(chloromethyl)-4-phenylmethoxybenzene
CID 146799719
2-tert-butyl-4-methylsulfanyl-1-phenylmethoxybenzene
CID 126677080
1-tert-butyl-2-phenylmethoxybenzene;formaldehyde
CID 174659745
N-[2-(2,4-ditert-butylphenoxy)ethyl]-3-phenylmethoxyaniline
CID 54801603
1-amino-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 118323033
2-(3-tert-butyl-4-phenylmethoxyphenyl)acetonitrile
CID 129322944

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-phenylmethoxyphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(5-tert-butyl-2-phenylmethoxyphenyl)-2-methylpropan-1-ol (CID 59544164) is 2-(5-tert-butyl-2-phenylmethoxyphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(5-tert-butyl-2-phenylmethoxyphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(5-tert-butyl-2-phenylmethoxyphenyl)-2-methylpropan-1-ol is CC(C)(C)c1ccc(OCc2ccccc2)c(C(C)(C)CO)c1.
What is the InChIKey of 2-(5-tert-butyl-2-phenylmethoxyphenyl)-2-methylpropan-1-ol?
The InChIKey is YLTXIQKPVBXYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2/c1-20(2,3)17-11-12-19(18(13-17)21(4,5)15-22)23-14-16-9-7-6-8-10-16/h6-13,22H,14-15H2,1-5H3.
What are the key properties of 2-(5-tert-butyl-2-phenylmethoxyphenyl)-2-methylpropan-1-ol?
2-(5-tert-butyl-2-phenylmethoxyphenyl)-2-methylpropan-1-ol has a molecular weight of 312.45 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-phenylmethoxyphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 59544164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).