2-tert-butyl-4-methyl-6-[(1R)-1-phenylethyl]phenol

C19H24O — CID 1271819

IUPAC2-tert-butyl-4-methyl-6-[(1R)-1-phenylethyl]phenol
SMILESCc1cc([C@H](C)c2ccccc2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C19H24O/c1-13-11-16(14(2)15-9-7-6-8-10-15)18(20)17(12-13)19(3,4)5/h6-12,14,20H,1-5H3/t14-/m1/s1
InChIKeyKYWXWCOPNNMDMN-CQSZACIVSA-N
MW268.40 g/mol
LogP5.15
Rot. Bonds2

About 2-tert-butyl-4-methyl-6-[(1R)-1-phenylethyl]phenol

2-tert-butyl-4-methyl-6-[(1R)-1-phenylethyl]phenol (PubChem CID 1271819) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-6-[(1R)-1-phenylethyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-6-[(1R)-1-phenylethyl]phenol
PubChem CID1271819
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name2-tert-butyl-4-methyl-6-[(1R)-1-phenylethyl]phenol
SMILESCc1cc([C@H](C)c2ccccc2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C19H24O/c1-13-11-16(14(2)15-9-7-6-8-10-15)18(20)17(12-13)19(3,4)5/h6-12,14,20H,1-5H3/t14-/m1/s1
InChIKeyKYWXWCOPNNMDMN-CQSZACIVSA-N
XLogP5.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-4-methyl-5-[(1R)-1-phenylethyl]phenol
CID 1270910
2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol
CID 19042670
2-tert-butyl-6-[1-[3-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]phenyl]propan-2-yl]-4-methylphenol
CID 88729170
2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol
CID 15139972
4-methyl-2,6-bis(1-phenylethyl)aniline;4-methyl-2,6-bis[(1R)-1-phenylethyl]aniline
CID 162252807
2-tert-butyl-4-methyl-6-phenylphenol
CID 14315744
2-tert-butyl-5-[3-tert-butyl-4-hydroxy-5-(1-phenylethyl)phenyl]-4-methyl-6-(1-phenylethyl)cyclohexa-2,4-dien-1-one
CID 88817199
2-tert-butyl-4-methyl-6-[(2R)-pentan-2-yl]phenol
CID 90297655
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
N,N'-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]ethane-1,2-diimine
CID 11331952

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-6-[(1R)-1-phenylethyl]phenol?
The IUPAC name of 2-tert-butyl-4-methyl-6-[(1R)-1-phenylethyl]phenol (CID 1271819) is 2-tert-butyl-4-methyl-6-[(1R)-1-phenylethyl]phenol.
What is the SMILES notation for 2-tert-butyl-4-methyl-6-[(1R)-1-phenylethyl]phenol?
The canonical SMILES for 2-tert-butyl-4-methyl-6-[(1R)-1-phenylethyl]phenol is Cc1cc([C@H](C)c2ccccc2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-methyl-6-[(1R)-1-phenylethyl]phenol?
The InChIKey is KYWXWCOPNNMDMN-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24O/c1-13-11-16(14(2)15-9-7-6-8-10-15)18(20)17(12-13)19(3,4)5/h6-12,14,20H,1-5H3/t14-/m1/s1.
What are the key properties of 2-tert-butyl-4-methyl-6-[(1R)-1-phenylethyl]phenol?
2-tert-butyl-4-methyl-6-[(1R)-1-phenylethyl]phenol has a molecular weight of 268.40 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-6-[(1R)-1-phenylethyl]phenol is sourced from PubChem (CID 1271819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).