1-(5-tert-butyl-2-methoxyphenyl)propan-2-ol

C14H22O2 — CID 117318705

IUPAC1-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(C(C)(C)C)cc1CC(C)O
InChIInChI=1S/C14H22O2/c1-10(15)8-11-9-12(14(2,3)4)6-7-13(11)16-5/h6-7,9-10,15H,8H2,1-5H3
InChIKeyBMEGFBBZLBRUIH-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.92
Rot. Bonds3

About 1-(5-tert-butyl-2-methoxyphenyl)propan-2-ol

1-(5-tert-butyl-2-methoxyphenyl)propan-2-ol (PubChem CID 117318705) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
PubChem CID117318705
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(C(C)(C)C)cc1CC(C)O
InChIInChI=1S/C14H22O2/c1-10(15)8-11-9-12(14(2,3)4)6-7-13(11)16-5/h6-7,9-10,15H,8H2,1-5H3
InChIKeyBMEGFBBZLBRUIH-UHFFFAOYSA-N
XLogP2.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-2-ol
CID 117446796
1-(5-tert-butyl-2-methoxyphenyl)-N-methylpropan-2-amine
CID 82262287
2-[(5-tert-butyl-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 116931067
(5-tert-butyl-2-methoxyphenyl)methanamine
CID 82075869
(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 83533648
methyl 4-(5-tert-butyl-2-methoxyphenyl)-3-chlorobutanoate
CID 82352079
1-[1-(5-tert-butyl-2-methoxyphenyl)propan-2-yl]piperazine
CID 82255612
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
sodium 2-(5-tert-butyl-2-methoxyphenyl)acetate
CID 18684898
3-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-2-methylpropanoic acid
CID 117398962
1-(5-tert-butyl-2-methoxyphenyl)-N-methoxymethanamine
CID 117320541
2-(5-tert-butyl-2-methoxyphenyl)acetohydrazide
CID 116843348

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)propan-2-ol (CID 117318705) is 1-(5-tert-butyl-2-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(5-tert-butyl-2-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(5-tert-butyl-2-methoxyphenyl)propan-2-ol is COc1ccc(C(C)(C)C)cc1CC(C)O.
What is the InChIKey of 1-(5-tert-butyl-2-methoxyphenyl)propan-2-ol?
The InChIKey is BMEGFBBZLBRUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-10(15)8-11-9-12(14(2,3)4)6-7-13(11)16-5/h6-7,9-10,15H,8H2,1-5H3.
What are the key properties of 1-(5-tert-butyl-2-methoxyphenyl)propan-2-ol?
1-(5-tert-butyl-2-methoxyphenyl)propan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 117318705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).