5-(4-hydroxy-2,6-dimethylphenyl)benzene-1,3-diol

C14H14O3 — CID 101299469

IUPAC5-(4-hydroxy-2,6-dimethylphenyl)benzene-1,3-diol
SMILESCc1cc(O)cc(C)c1-c1cc(O)cc(O)c1
InChIInChI=1S/C14H14O3/c1-8-3-11(15)4-9(2)14(8)10-5-12(16)7-13(17)6-10/h3-7,15-17H,1-2H3
InChIKeyRDQJWFHPTMZNHD-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.09
Rot. Bonds1

About 5-(4-hydroxy-2,6-dimethylphenyl)benzene-1,3-diol

5-(4-hydroxy-2,6-dimethylphenyl)benzene-1,3-diol (PubChem CID 101299469) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 5-(4-hydroxy-2,6-dimethylphenyl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(4-hydroxy-2,6-dimethylphenyl)benzene-1,3-diol
PubChem CID101299469
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name5-(4-hydroxy-2,6-dimethylphenyl)benzene-1,3-diol
SMILESCc1cc(O)cc(C)c1-c1cc(O)cc(O)c1
InChIInChI=1S/C14H14O3/c1-8-3-11(15)4-9(2)14(8)10-5-12(16)7-13(17)6-10/h3-7,15-17H,1-2H3
InChIKeyRDQJWFHPTMZNHD-UHFFFAOYSA-N
XLogP3.09
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,4,6-trimethylphenyl)benzene-1,3-diol
CID 101299183
5-(6-hydroxy-2,3,4-trimethylphenyl)benzene-1,3-diol
CID 101299652
4-(4-hydroxy-2,6-dimethylphenyl)benzaldehyde
CID 51350055
4-[4-(difluoromethyl)phenyl]-3,5-dimethylphenol
CID 143276306
3,5-dimethyl-4-(3-methylphenyl)phenol
CID 101298795
4-bromo-3,5-dimethylphenol;3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenol
CID 158996885
methane;3,4,5-trimethylphenol
CID 174273113
2-(3,4,5-trimethylphenyl)benzene-1,3,5-triol
CID 101299580
benzene-1,3,5-triol
CID 359
4-(1-butylpyridin-1-ium-4-yl)-3,5-dimethylphenol
CID 11509227
2-(3,4-dichlorophenyl)-5-hydroxy-3-methylbenzoic acid
CID 82045546
benzene-1,3,5-triol;1,3,5-trimethylbenzene
CID 175059565

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-2,6-dimethylphenyl)benzene-1,3-diol?
The IUPAC name of 5-(4-hydroxy-2,6-dimethylphenyl)benzene-1,3-diol (CID 101299469) is 5-(4-hydroxy-2,6-dimethylphenyl)benzene-1,3-diol.
What is the SMILES notation for 5-(4-hydroxy-2,6-dimethylphenyl)benzene-1,3-diol?
The canonical SMILES for 5-(4-hydroxy-2,6-dimethylphenyl)benzene-1,3-diol is Cc1cc(O)cc(C)c1-c1cc(O)cc(O)c1.
What is the InChIKey of 5-(4-hydroxy-2,6-dimethylphenyl)benzene-1,3-diol?
The InChIKey is RDQJWFHPTMZNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-8-3-11(15)4-9(2)14(8)10-5-12(16)7-13(17)6-10/h3-7,15-17H,1-2H3.
What are the key properties of 5-(4-hydroxy-2,6-dimethylphenyl)benzene-1,3-diol?
5-(4-hydroxy-2,6-dimethylphenyl)benzene-1,3-diol has a molecular weight of 230.26 g/mol, XLogP of 3.09, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-2,6-dimethylphenyl)benzene-1,3-diol is sourced from PubChem (CID 101299469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).