(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol

C17H20O2 — CID 100943216

IUPAC(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol
SMILESCC(C)([C@H](O)c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C17H20O2/c1-17(2,15(18)13-9-5-3-6-10-13)16(19)14-11-7-4-8-12-14/h3-12,15-16,18-19H,1-2H3/t15-,16-/m1/s1
InChIKeyIMKKDASVJRQCLQ-HZPDHXFCSA-N
MW256.35 g/mol
LogP3.48
Rot. Bonds4

About (1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol

(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol (PubChem CID 100943216) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is (1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol.

Molecular Properties

Compound Name(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol
PubChem CID100943216
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol
SMILESCC(C)([C@H](O)c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C17H20O2/c1-17(2,15(18)13-9-5-3-6-10-13)16(19)14-11-7-4-8-12-14/h3-12,15-16,18-19H,1-2H3/t15-,16-/m1/s1
InChIKeyIMKKDASVJRQCLQ-HZPDHXFCSA-N
XLogP3.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-4-phenylbutane-1,2,4-triol
CID 132576079
(1S)-2-amino-2-methyl-1-phenylpropan-1-ol
CID 38988546
(1R,2S)-2,3,3-trimethyl-1-phenylbutane-1,2-diol
CID 10774737
3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-ol;hydrochloride
CID 117067676
(1S)-2,2,2-trifluoro-1-phenylethanol
CID 1472401
(1S,2R)-2,3-dimethyl-1-phenylbut-3-ene-1,2-diol
CID 101475003
3,4-dihydroxy-3-methyl-4-phenylbutan-2-one
CID 15758929
(1S)-2-(dimethylamino)-1,2,2-triphenylethanol
CID 10686982
4,4-dimethyl-3-phenylpentan-2-ol
CID 91224802
2,2-dimethyl-3-(4-methylanilino)-1,3-diphenylpropan-1-ol
CID 607318
[(1R,3R)-3-hydroxy-2,2-dimethyl-1,3-diphenylpropyl] benzoate
CID 15182984
2-(benzenesulfinyl)-2-methyl-1-phenylpropan-1-ol
CID 14023061

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol?
The IUPAC name of (1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol (CID 100943216) is (1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol.
What is the SMILES notation for (1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol?
The canonical SMILES for (1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol is CC(C)([C@H](O)c1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of (1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol?
The InChIKey is IMKKDASVJRQCLQ-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H20O2/c1-17(2,15(18)13-9-5-3-6-10-13)16(19)14-11-7-4-8-12-14/h3-12,15-16,18-19H,1-2H3/t15-,16-/m1/s1.
What are the key properties of (1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol?
(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol has a molecular weight of 256.35 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol is sourced from PubChem (CID 100943216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).