2,2-bis(2,6-dimethylphenyl)propane-1,3-diol

C19H24O2 — CID 23292671

IUPAC2,2-bis(2,6-dimethylphenyl)propane-1,3-diol
SMILESCc1cccc(C)c1C(CO)(CO)c1c(C)cccc1C
InChIInChI=1S/C19H24O2/c1-13-7-5-8-14(2)17(13)19(11-20,12-21)18-15(3)9-6-10-16(18)4/h5-10,20-21H,11-12H2,1-4H3
InChIKeyUWVTUARFJRHKCW-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.19
Rot. Bonds4

About 2,2-bis(2,6-dimethylphenyl)propane-1,3-diol

2,2-bis(2,6-dimethylphenyl)propane-1,3-diol (PubChem CID 23292671) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2,2-bis(2,6-dimethylphenyl)propane-1,3-diol.

Molecular Properties

Compound Name2,2-bis(2,6-dimethylphenyl)propane-1,3-diol
PubChem CID23292671
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name2,2-bis(2,6-dimethylphenyl)propane-1,3-diol
SMILESCc1cccc(C)c1C(CO)(CO)c1c(C)cccc1C
InChIInChI=1S/C19H24O2/c1-13-7-5-8-14(2)17(13)19(11-20,12-21)18-15(3)9-6-10-16(18)4/h5-10,20-21H,11-12H2,1-4H3
InChIKeyUWVTUARFJRHKCW-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(2-fluoro-6-methylphenyl)propan-1-ol
CID 55294765
(2R)-2-amino-2-(2-methoxy-6-methylphenyl)propan-1-ol
CID 55268996
(2R)-2-(3-methylphenyl)propane-1,2-diol
CID 56926487
ethane;3-methyl-2-(trifluoromethyl)phenol
CID 171645193
2-(2,6-dimethylphenyl)-2,2-difluoroethanamine
CID 91927221
2-(2,6-dimethylphenyl)-2,2-difluoroacetic acid
CID 91654271
2-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylphenol
CID 117284763
(2-tert-butyl-3-methylphenyl) dihydrogen phosphite
CID 67914227
2-(hydroxymethyl)-3-methylphenol
CID 10997099
N,N-dihydroxy-2,6-dimethylaniline
CID 89145253
2,2-diamino-2-(3-methylphenyl)ethanol
CID 174833042
3-[2-[2-(3-hydroxy-2,2-dimethylpropyl)sulfanyl-6-methylphenyl]-3-methylphenyl]sulfanyl-2,2-dimethylpropan-1-ol
CID 139688649

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2,6-dimethylphenyl)propane-1,3-diol?
The IUPAC name of 2,2-bis(2,6-dimethylphenyl)propane-1,3-diol (CID 23292671) is 2,2-bis(2,6-dimethylphenyl)propane-1,3-diol.
What is the SMILES notation for 2,2-bis(2,6-dimethylphenyl)propane-1,3-diol?
The canonical SMILES for 2,2-bis(2,6-dimethylphenyl)propane-1,3-diol is Cc1cccc(C)c1C(CO)(CO)c1c(C)cccc1C.
What is the InChIKey of 2,2-bis(2,6-dimethylphenyl)propane-1,3-diol?
The InChIKey is UWVTUARFJRHKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-13-7-5-8-14(2)17(13)19(11-20,12-21)18-15(3)9-6-10-16(18)4/h5-10,20-21H,11-12H2,1-4H3.
What are the key properties of 2,2-bis(2,6-dimethylphenyl)propane-1,3-diol?
2,2-bis(2,6-dimethylphenyl)propane-1,3-diol has a molecular weight of 284.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2,6-dimethylphenyl)propane-1,3-diol is sourced from PubChem (CID 23292671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).