2-tert-butyl-4-methyl-5-[(1R)-1-phenylethyl]phenol

C19H24O — CID 1270910

IUPAC2-tert-butyl-4-methyl-5-[(1R)-1-phenylethyl]phenol
SMILESCc1cc(C(C)(C)C)c(O)cc1[C@H](C)c1ccccc1
InChIInChI=1S/C19H24O/c1-13-11-17(19(3,4)5)18(20)12-16(13)14(2)15-9-7-6-8-10-15/h6-12,14,20H,1-5H3/t14-/m1/s1
InChIKeyWCZIPJVRYOJVOG-CQSZACIVSA-N
MW268.40 g/mol
LogP5.15
Rot. Bonds2

About 2-tert-butyl-4-methyl-5-[(1R)-1-phenylethyl]phenol

2-tert-butyl-4-methyl-5-[(1R)-1-phenylethyl]phenol (PubChem CID 1270910) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-5-[(1R)-1-phenylethyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-5-[(1R)-1-phenylethyl]phenol
PubChem CID1270910
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name2-tert-butyl-4-methyl-5-[(1R)-1-phenylethyl]phenol
SMILESCc1cc(C(C)(C)C)c(O)cc1[C@H](C)c1ccccc1
InChIInChI=1S/C19H24O/c1-13-11-17(19(3,4)5)18(20)12-16(13)14(2)15-9-7-6-8-10-15/h6-12,14,20H,1-5H3/t14-/m1/s1
InChIKeyWCZIPJVRYOJVOG-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

4-tert-Pentylphenol
CID 6643
Thymol
CID 6989
Bisphenol A
CID 6623
2,6-Di-tert-butyl-4-methylphenol
CID 31404
Magnolol
CID 72300
Hexestrol
CID 192197
2,4-Di-tert-butylphenol
CID 7311
4-Tert-octylphenol
CID 8814
Carvacrol
CID 10364
Bisphenol B
CID 66166
4-Cumylphenol
CID 11742
2,3-Dimethylphenol
CID 10687

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-5-[(1R)-1-phenylethyl]phenol?
The IUPAC name of 2-tert-butyl-4-methyl-5-[(1R)-1-phenylethyl]phenol (CID 1270910) is 2-tert-butyl-4-methyl-5-[(1R)-1-phenylethyl]phenol.
What is the SMILES notation for 2-tert-butyl-4-methyl-5-[(1R)-1-phenylethyl]phenol?
The canonical SMILES for 2-tert-butyl-4-methyl-5-[(1R)-1-phenylethyl]phenol is Cc1cc(C(C)(C)C)c(O)cc1[C@H](C)c1ccccc1.
What is the InChIKey of 2-tert-butyl-4-methyl-5-[(1R)-1-phenylethyl]phenol?
The InChIKey is WCZIPJVRYOJVOG-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24O/c1-13-11-17(19(3,4)5)18(20)12-16(13)14(2)15-9-7-6-8-10-15/h6-12,14,20H,1-5H3/t14-/m1/s1.
What are the key properties of 2-tert-butyl-4-methyl-5-[(1R)-1-phenylethyl]phenol?
2-tert-butyl-4-methyl-5-[(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-5-[(1R)-1-phenylethyl]phenol is sourced from PubChem (CID 1270910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).