5-butan-2-yl-2-[(2S)-butan-2-yl]phenol

C14H22O — CID 71088611

IUPAC5-butan-2-yl-2-[(2S)-butan-2-yl]phenol
SMILESCCC(C)c1ccc([C@@H](C)CC)c(O)c1
InChIInChI=1S/C14H22O/c1-5-10(3)12-7-8-13(11(4)6-2)14(15)9-12/h7-11,15H,5-6H2,1-4H3/t10?,11-/m0/s1
InChIKeyUSKPGPJXOGQXMS-DTIOYNMSSA-N
MW206.33 g/mol
LogP4.42
Rot. Bonds4

About 5-butan-2-yl-2-[(2S)-butan-2-yl]phenol

5-butan-2-yl-2-[(2S)-butan-2-yl]phenol (PubChem CID 71088611) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 5-butan-2-yl-2-[(2S)-butan-2-yl]phenol.

Molecular Properties

Compound Name5-butan-2-yl-2-[(2S)-butan-2-yl]phenol
PubChem CID71088611
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name5-butan-2-yl-2-[(2S)-butan-2-yl]phenol
SMILESCCC(C)c1ccc([C@@H](C)CC)c(O)c1
InChIInChI=1S/C14H22O/c1-5-10(3)12-7-8-13(11(4)6-2)14(15)9-12/h7-11,15H,5-6H2,1-4H3/t10?,11-/m0/s1
InChIKeyUSKPGPJXOGQXMS-DTIOYNMSSA-N
XLogP4.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-butan-2-yl-2-(4-butan-2-yl-2-hydroxyphenyl)phenol
CID 66659271
1,4-di(butan-2-yl)-2-methylbenzene
CID 58616694
5-butan-2-yl-2-(4-butan-2-ylphenyl)phenol
CID 141260416
2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol
CID 117284776
6-butan-2-ylnaphthalene-2,3-diol
CID 134463629
4-butan-2-yl-2-hydroxybenzaldehyde
CID 10236044
4-butan-2-yl-2-hydroxybenzoic acid
CID 54169876
5-butan-2-ylbenzene-1,2,4-triol
CID 22895392
5-(difluoromethyl)-2-(1-hydroxypropan-2-yl)phenol
CID 117290732
4-butan-2-yl-2-methoxyphenol;methane
CID 158403359
2-butan-2-ylphenol;formaldehyde
CID 66765994
2-(aminomethyl)-4-butan-2-ylphenol;hydrochloride
CID 21430763

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-[(2S)-butan-2-yl]phenol?
The IUPAC name of 5-butan-2-yl-2-[(2S)-butan-2-yl]phenol (CID 71088611) is 5-butan-2-yl-2-[(2S)-butan-2-yl]phenol.
What is the SMILES notation for 5-butan-2-yl-2-[(2S)-butan-2-yl]phenol?
The canonical SMILES for 5-butan-2-yl-2-[(2S)-butan-2-yl]phenol is CCC(C)c1ccc([C@@H](C)CC)c(O)c1.
What is the InChIKey of 5-butan-2-yl-2-[(2S)-butan-2-yl]phenol?
The InChIKey is USKPGPJXOGQXMS-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H22O/c1-5-10(3)12-7-8-13(11(4)6-2)14(15)9-12/h7-11,15H,5-6H2,1-4H3/t10?,11-/m0/s1.
What are the key properties of 5-butan-2-yl-2-[(2S)-butan-2-yl]phenol?
5-butan-2-yl-2-[(2S)-butan-2-yl]phenol has a molecular weight of 206.33 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-[(2S)-butan-2-yl]phenol is sourced from PubChem (CID 71088611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).