3-(4-tert-butylphenyl)-1-phenylpropane-1,2-diol

C19H24O2 — CID 103459420

IUPAC3-(4-tert-butylphenyl)-1-phenylpropane-1,2-diol
SMILESCC(C)(C)c1ccc(CC(O)C(O)c2ccccc2)cc1
InChIInChI=1S/C19H24O2/c1-19(2,3)16-11-9-14(10-12-16)13-17(20)18(21)15-7-5-4-6-8-15/h4-12,17-18,20-21H,13H2,1-3H3
InChIKeyAGHYFMPNVSVTKM-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.62
Rot. Bonds4

About 3-(4-tert-butylphenyl)-1-phenylpropane-1,2-diol

3-(4-tert-butylphenyl)-1-phenylpropane-1,2-diol (PubChem CID 103459420) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-1-phenylpropane-1,2-diol.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-1-phenylpropane-1,2-diol
PubChem CID103459420
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name3-(4-tert-butylphenyl)-1-phenylpropane-1,2-diol
SMILESCC(C)(C)c1ccc(CC(O)C(O)c2ccccc2)cc1
InChIInChI=1S/C19H24O2/c1-19(2,3)16-11-9-14(10-12-16)13-17(20)18(21)15-7-5-4-6-8-15/h4-12,17-18,20-21H,13H2,1-3H3
InChIKeyAGHYFMPNVSVTKM-UHFFFAOYSA-N
XLogP3.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171261579
(1S,2R)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171267264
4-(4-tert-butylphenyl)-1-phenylbutan-1-ol
CID 64513068
1-(4-tert-butylphenyl)-3-sulfanylpropane-1,2-diol
CID 170820129
1,2-bis(4-tert-butylphenyl)ethane-1,2-diol
CID 21199328
(3R)-4-(4-tert-butylphenyl)-1,3-diphenylbutan-1-one
CID 101258013
1-(4-tert-butylphenyl)-2,3-diphenylpropan-1-one
CID 135032816
1-(4-tert-butylphenyl)-3-ethoxybutan-2-ol
CID 64541572
1-tert-butyl-4-(2,2-dibenzyl-3-phenylpropyl)benzene
CID 101188647
(2R)-3-(4-tert-butylphenyl)-1,1,1-trifluoropropan-2-ol
CID 94905405
2-(4-tert-butylphenyl)-1-(2-methylsulfanylphenyl)ethanol
CID 115786607
2-(4-tert-butylphenyl)-1-(2-ethylphenyl)ethanol
CID 65150147

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-1-phenylpropane-1,2-diol?
The IUPAC name of 3-(4-tert-butylphenyl)-1-phenylpropane-1,2-diol (CID 103459420) is 3-(4-tert-butylphenyl)-1-phenylpropane-1,2-diol.
What is the SMILES notation for 3-(4-tert-butylphenyl)-1-phenylpropane-1,2-diol?
The canonical SMILES for 3-(4-tert-butylphenyl)-1-phenylpropane-1,2-diol is CC(C)(C)c1ccc(CC(O)C(O)c2ccccc2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-1-phenylpropane-1,2-diol?
The InChIKey is AGHYFMPNVSVTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-19(2,3)16-11-9-14(10-12-16)13-17(20)18(21)15-7-5-4-6-8-15/h4-12,17-18,20-21H,13H2,1-3H3.
What are the key properties of 3-(4-tert-butylphenyl)-1-phenylpropane-1,2-diol?
3-(4-tert-butylphenyl)-1-phenylpropane-1,2-diol has a molecular weight of 284.40 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-1-phenylpropane-1,2-diol is sourced from PubChem (CID 103459420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).