(1R)-1-[2-(4-tert-butyl-2-methylphenoxy)phenyl]ethanol

C19H24O2 — CID 78944803

IUPAC(1R)-1-[2-(4-tert-butyl-2-methylphenoxy)phenyl]ethanol
SMILESCc1cc(C(C)(C)C)ccc1Oc1ccccc1[C@@H](C)O
InChIInChI=1S/C19H24O2/c1-13-12-15(19(3,4)5)10-11-17(13)21-18-9-7-6-8-16(18)14(2)20/h6-12,14,20H,1-5H3/t14-/m1/s1
InChIKeyDDRPGJHSQBGCSS-CQSZACIVSA-N
MW284.40 g/mol
LogP5.14
Rot. Bonds3

About (1R)-1-[2-(4-tert-butyl-2-methylphenoxy)phenyl]ethanol

(1R)-1-[2-(4-tert-butyl-2-methylphenoxy)phenyl]ethanol (PubChem CID 78944803) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is (1R)-1-[2-(4-tert-butyl-2-methylphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(4-tert-butyl-2-methylphenoxy)phenyl]ethanol
PubChem CID78944803
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name(1R)-1-[2-(4-tert-butyl-2-methylphenoxy)phenyl]ethanol
SMILESCc1cc(C(C)(C)C)ccc1Oc1ccccc1[C@@H](C)O
InChIInChI=1S/C19H24O2/c1-13-12-15(19(3,4)5)10-11-17(13)21-18-9-7-6-8-16(18)14(2)20/h6-12,14,20H,1-5H3/t14-/m1/s1
InChIKeyDDRPGJHSQBGCSS-CQSZACIVSA-N
XLogP5.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-1-[2-(4-tert-butyl-2-methylphenoxy)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-tert-butylphenoxy)phenyl]ethanol
CID 43510250
(1R)-1-[2-(3-tert-butylphenoxy)phenyl]ethanol
CID 78944861
1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanol
CID 43510297
1-[2-(2,4-dibromophenoxy)phenyl]ethanol
CID 64720452
(1R)-1-[2-(2,4-dibromophenoxy)phenyl]ethanol
CID 78999180
(1R)-1-[2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 78941796
[3-methyl-4-(2-propan-2-ylphenoxy)phenyl]methanol
CID 62124011
1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanol
CID 63540649
3-fluoro-4-[2-(1-hydroxyethyl)phenoxy]benzonitrile
CID 107666090
3-fluoro-4-[2-[(1S)-1-hydroxyethyl]phenoxy]benzonitrile
CID 107666030
(1R)-1-(2-quinolin-8-yloxyphenyl)ethanol
CID 63372301
[2-(4-tert-butyl-2-methylphenoxy)-5-fluorophenyl]methanol
CID 43313481

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(4-tert-butyl-2-methylphenoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[2-(4-tert-butyl-2-methylphenoxy)phenyl]ethanol (CID 78944803) is (1R)-1-[2-(4-tert-butyl-2-methylphenoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(4-tert-butyl-2-methylphenoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(4-tert-butyl-2-methylphenoxy)phenyl]ethanol is Cc1cc(C(C)(C)C)ccc1Oc1ccccc1[C@@H](C)O.
What is the InChIKey of (1R)-1-[2-(4-tert-butyl-2-methylphenoxy)phenyl]ethanol?
The InChIKey is DDRPGJHSQBGCSS-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24O2/c1-13-12-15(19(3,4)5)10-11-17(13)21-18-9-7-6-8-16(18)14(2)20/h6-12,14,20H,1-5H3/t14-/m1/s1.
What are the key properties of (1R)-1-[2-(4-tert-butyl-2-methylphenoxy)phenyl]ethanol?
(1R)-1-[2-(4-tert-butyl-2-methylphenoxy)phenyl]ethanol has a molecular weight of 284.40 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(4-tert-butyl-2-methylphenoxy)phenyl]ethanol is sourced from PubChem (CID 78944803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).