4-[5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,2-diol

C18H20O4 — CID 14681579

IUPAC4-[5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,2-diol
SMILESCC1C(c2ccc(O)cc2)OC(c2ccc(O)c(O)c2)C1C
InChIInChI=1S/C18H20O4/c1-10-11(2)18(13-5-8-15(20)16(21)9-13)22-17(10)12-3-6-14(19)7-4-12/h3-11,17-21H,1-2H3
InChIKeyHKSHEXWQPGOEAT-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.89
Rot. Bonds2

About 4-[5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,2-diol

4-[5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,2-diol (PubChem CID 14681579) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 4-[5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,2-diol
PubChem CID14681579
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name4-[5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,2-diol
SMILESCC1C(c2ccc(O)cc2)OC(c2ccc(O)c(O)c2)C1C
InChIInChI=1S/C18H20O4/c1-10-11(2)18(13-5-8-15(20)16(21)9-13)22-17(10)12-3-6-14(19)7-4-12/h3-11,17-21H,1-2H3
InChIKeyHKSHEXWQPGOEAT-UHFFFAOYSA-N
XLogP3.89
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-[(2S,3S,4R,5S)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
CID 163003103
4-[(2S,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol
CID 51694144
5-[(2S,3S,4S,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
CID 102353917
5-[(2S,3R,4R,5S)-4-(3,5-dihydroxyphenyl)-2,5-bis(4-hydroxyphenyl)oxolan-3-yl]benzene-1,3-diol
CID 162922054
4-[(2S,3S,4R,5R)-5-(4-methoxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,3-diol
CID 166448551
1,4-bis(3,4-dihydroxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 6454034
4-[(2S,3S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
CID 122389430
4-[(2S,3R,4R,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
CID 102260959
4-[[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2H-chromen-4-yl]oxy]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7,8-triol
CID 101422266
(2R,4S)-4-[[(2R,4S)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2H-chromen-4-yl]oxy]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7,8-triol
CID 101051683
4-[(2S,3R,4S,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol
CID 163044948
4-[5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol
CID 131751451

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,2-diol?
The IUPAC name of 4-[5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,2-diol (CID 14681579) is 4-[5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,2-diol.
What is the SMILES notation for 4-[5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,2-diol?
The canonical SMILES for 4-[5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,2-diol is CC1C(c2ccc(O)cc2)OC(c2ccc(O)c(O)c2)C1C.
What is the InChIKey of 4-[5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,2-diol?
The InChIKey is HKSHEXWQPGOEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-10-11(2)18(13-5-8-15(20)16(21)9-13)22-17(10)12-3-6-14(19)7-4-12/h3-11,17-21H,1-2H3.
What are the key properties of 4-[5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,2-diol?
4-[5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,2-diol has a molecular weight of 300.35 g/mol, XLogP of 3.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,2-diol is sourced from PubChem (CID 14681579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).