2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol

C15H24O2 — CID 82129591

IUPAC2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1ccc(C(C)(C)CO)cc1C(C)(C)C
InChIInChI=1S/C15H24O2/c1-14(2,3)12-9-11(15(4,5)10-16)7-8-13(12)17-6/h7-9,16H,10H2,1-6H3
InChIKeyBLGYMACTGJMPFA-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.26
Rot. Bonds3

About 2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol

2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol (PubChem CID 82129591) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol
PubChem CID82129591
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1ccc(C(C)(C)CO)cc1C(C)(C)C
InChIInChI=1S/C15H24O2/c1-14(2,3)12-9-11(15(4,5)10-16)7-8-13(12)17-6/h7-9,16H,10H2,1-6H3
InChIKeyBLGYMACTGJMPFA-UHFFFAOYSA-N
XLogP3.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82125771
2-[2-methoxy-5-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117373100
2-(3-chloro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82126929
4-(3-tert-butyl-4-methoxyphenyl)pentane-1,4-diol
CID 116861537
2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
CID 83686232
1-amino-2-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
CID 82049197
[2-tert-butyl-4-(2-methylbutan-2-yl)phenyl] methyl carbonate
CID 138660138
2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanoic acid
CID 82133860
2-(5-tert-butyl-2-methoxyphenyl)-2-methylpropanoic acid
CID 82131491
2-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
CID 117332377
2,4-ditert-butyl-1-(trifluoromethoxy)benzene
CID 164683677
2-[4-[2-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-2-yl]phenyl]-2-methylpropan-1-ol
CID 14440449

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol (CID 82129591) is 2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol is COc1ccc(C(C)(C)CO)cc1C(C)(C)C.
What is the InChIKey of 2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol?
The InChIKey is BLGYMACTGJMPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-14(2,3)12-9-11(15(4,5)10-16)7-8-13(12)17-6/h7-9,16H,10H2,1-6H3.
What are the key properties of 2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol?
2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol has a molecular weight of 236.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 82129591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).