(2R,4R)-2-tert-butyl-2-methyl-4-phenylpentane-1,5-diol

C16H26O2 — CID 58432679

IUPAC(2R,4R)-2-tert-butyl-2-methyl-4-phenylpentane-1,5-diol
SMILESCC(C)(C)[C@](C)(CO)C[C@@H](CO)c1ccccc1
InChIInChI=1S/C16H26O2/c1-15(2,3)16(4,12-18)10-14(11-17)13-8-6-5-7-9-13/h5-9,14,17-18H,10-12H2,1-4H3/t14-,16-/m0/s1
InChIKeyLDLUNEGFHPUJFY-HOCLYGCPSA-N
MW250.38 g/mol
LogP3.20
Rot. Bonds5

About (2R,4R)-2-tert-butyl-2-methyl-4-phenylpentane-1,5-diol

(2R,4R)-2-tert-butyl-2-methyl-4-phenylpentane-1,5-diol (PubChem CID 58432679) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (2R,4R)-2-tert-butyl-2-methyl-4-phenylpentane-1,5-diol.

Molecular Properties

Compound Name(2R,4R)-2-tert-butyl-2-methyl-4-phenylpentane-1,5-diol
PubChem CID58432679
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(2R,4R)-2-tert-butyl-2-methyl-4-phenylpentane-1,5-diol
SMILESCC(C)(C)[C@](C)(CO)C[C@@H](CO)c1ccccc1
InChIInChI=1S/C16H26O2/c1-15(2,3)16(4,12-18)10-14(11-17)13-8-6-5-7-9-13/h5-9,14,17-18H,10-12H2,1-4H3/t14-,16-/m0/s1
InChIKeyLDLUNEGFHPUJFY-HOCLYGCPSA-N
XLogP3.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-dimethyl-2-phenylhexan-1-ol
CID 66060280
(2S,5S)-2,5-diphenylhexane-1,6-diol
CID 102169365
(5-hydroxy-2-methyl-4-phenylpentan-2-yl) carbamate
CID 150050073
(3-hydroxy-2-phenylpropyl)-λ2-stannane
CID 173264317
2,2-dimethyl-3,3-diphenylpropan-1-ol
CID 15315706
3-(3-hydroxy-2-phenylpropoxy)-2-phenylpropan-1-ol
CID 56973826
(4R)-2,2-dimethyl-4-phenylpentan-1-ol
CID 135189920
3-(2-methylpropylamino)-2-phenylpropan-1-ol
CID 115876691
2,2-dimethyl-5-phenylheptan-3-one
CID 15091945
[(1R)-2-hydroxy-1-phenylethyl]azanium
CID 6950536
4,4-dimethyl-2-phenylpentane-1,3-diol
CID 91566157
3,3-dimethyl-4-phenylbutane-1,2,4-triol
CID 132576079

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-tert-butyl-2-methyl-4-phenylpentane-1,5-diol?
The IUPAC name of (2R,4R)-2-tert-butyl-2-methyl-4-phenylpentane-1,5-diol (CID 58432679) is (2R,4R)-2-tert-butyl-2-methyl-4-phenylpentane-1,5-diol.
What is the SMILES notation for (2R,4R)-2-tert-butyl-2-methyl-4-phenylpentane-1,5-diol?
The canonical SMILES for (2R,4R)-2-tert-butyl-2-methyl-4-phenylpentane-1,5-diol is CC(C)(C)[C@](C)(CO)C[C@@H](CO)c1ccccc1.
What is the InChIKey of (2R,4R)-2-tert-butyl-2-methyl-4-phenylpentane-1,5-diol?
The InChIKey is LDLUNEGFHPUJFY-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H26O2/c1-15(2,3)16(4,12-18)10-14(11-17)13-8-6-5-7-9-13/h5-9,14,17-18H,10-12H2,1-4H3/t14-,16-/m0/s1.
What are the key properties of (2R,4R)-2-tert-butyl-2-methyl-4-phenylpentane-1,5-diol?
(2R,4R)-2-tert-butyl-2-methyl-4-phenylpentane-1,5-diol has a molecular weight of 250.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-tert-butyl-2-methyl-4-phenylpentane-1,5-diol is sourced from PubChem (CID 58432679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).