4-[(2-hydroxy-5-methylphenyl)methyl]-6-methylbenzene-1,3-diol

C15H16O3 — CID 70116122

IUPAC4-[(2-hydroxy-5-methylphenyl)methyl]-6-methylbenzene-1,3-diol
SMILESCc1ccc(O)c(Cc2cc(C)c(O)cc2O)c1
InChIInChI=1S/C15H16O3/c1-9-3-4-13(16)11(5-9)7-12-6-10(2)14(17)8-15(12)18/h3-6,8,16-18H,7H2,1-2H3
InChIKeyDLQIWBHYGYTSHH-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.01
Rot. Bonds2

About 4-[(2-hydroxy-5-methylphenyl)methyl]-6-methylbenzene-1,3-diol

4-[(2-hydroxy-5-methylphenyl)methyl]-6-methylbenzene-1,3-diol (PubChem CID 70116122) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[(2-hydroxy-5-methylphenyl)methyl]-6-methylbenzene-1,3-diol.

Molecular Properties

Compound Name4-[(2-hydroxy-5-methylphenyl)methyl]-6-methylbenzene-1,3-diol
PubChem CID70116122
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name4-[(2-hydroxy-5-methylphenyl)methyl]-6-methylbenzene-1,3-diol
SMILESCc1ccc(O)c(Cc2cc(C)c(O)cc2O)c1
InChIInChI=1S/C15H16O3/c1-9-3-4-13(16)11(5-9)7-12-6-10(2)14(17)8-15(12)18/h3-6,8,16-18H,7H2,1-2H3
InChIKeyDLQIWBHYGYTSHH-UHFFFAOYSA-N
XLogP3.01
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,4-dimethylphenyl)methyl]-6-methylbenzene-1,3-diol
CID 162304055
2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;tetrachlorotungsten
CID 153466850
4-methyl-2-[(2,3,5-trimethylphenyl)methyl]phenol
CID 21015145
2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane
CID 174155977
2-[(3-hydroxy-4-methylphenyl)methyl]-4-methylphenol
CID 143552541
4-methyl-2-[(3,4,5-trimethylphenyl)methyl]phenol
CID 90160310
2-[(2-hydroxy-5-methylphenyl)methyl]-4-[[3-[(2-hydroxy-5-methylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol
CID 143901407
4-ethyl-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol
CID 150105326
2,4-dimethylphenol
CID 67713801
2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645
4-[(2-hydroxyphenyl)methyl]-2,5-dimethylphenol
CID 18000570
4-methyl-2-[(2-methyl-3-pyridinyl)methyl]phenol
CID 143626685

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-5-methylphenyl)methyl]-6-methylbenzene-1,3-diol?
The IUPAC name of 4-[(2-hydroxy-5-methylphenyl)methyl]-6-methylbenzene-1,3-diol (CID 70116122) is 4-[(2-hydroxy-5-methylphenyl)methyl]-6-methylbenzene-1,3-diol.
What is the SMILES notation for 4-[(2-hydroxy-5-methylphenyl)methyl]-6-methylbenzene-1,3-diol?
The canonical SMILES for 4-[(2-hydroxy-5-methylphenyl)methyl]-6-methylbenzene-1,3-diol is Cc1ccc(O)c(Cc2cc(C)c(O)cc2O)c1.
What is the InChIKey of 4-[(2-hydroxy-5-methylphenyl)methyl]-6-methylbenzene-1,3-diol?
The InChIKey is DLQIWBHYGYTSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-9-3-4-13(16)11(5-9)7-12-6-10(2)14(17)8-15(12)18/h3-6,8,16-18H,7H2,1-2H3.
What are the key properties of 4-[(2-hydroxy-5-methylphenyl)methyl]-6-methylbenzene-1,3-diol?
4-[(2-hydroxy-5-methylphenyl)methyl]-6-methylbenzene-1,3-diol has a molecular weight of 244.29 g/mol, XLogP of 3.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-5-methylphenyl)methyl]-6-methylbenzene-1,3-diol is sourced from PubChem (CID 70116122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).