2-[hydroxy(phenyl)methyl]-3-methylphenol

C14H14O2 — CID 54494463

IUPAC2-[hydroxy(phenyl)methyl]-3-methylphenol
SMILESCc1cccc(O)c1C(O)c1ccccc1
InChIInChI=1S/C14H14O2/c1-10-6-5-9-12(15)13(10)14(16)11-7-3-2-4-8-11/h2-9,14-16H,1H3
InChIKeyXYBJVDDGIIWMGQ-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.78
Rot. Bonds2

About 2-[hydroxy(phenyl)methyl]-3-methylphenol

2-[hydroxy(phenyl)methyl]-3-methylphenol (PubChem CID 54494463) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[hydroxy(phenyl)methyl]-3-methylphenol.

Molecular Properties

Compound Name2-[hydroxy(phenyl)methyl]-3-methylphenol
PubChem CID54494463
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name2-[hydroxy(phenyl)methyl]-3-methylphenol
SMILESCc1cccc(O)c1C(O)c1ccccc1
InChIInChI=1S/C14H14O2/c1-10-6-5-9-12(15)13(10)14(16)11-7-3-2-4-8-11/h2-9,14-16H,1H3
InChIKeyXYBJVDDGIIWMGQ-UHFFFAOYSA-N
XLogP2.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3,4,5,6-pentamethylphenyl)-phenylmethanol
CID 2803280
(1R)-1-(2-hydroxy-6-methylphenyl)ethane-1,2-diol
CID 162967922
(2-bromo-3-methylphenyl)-phenylmethanol
CID 107983305
2-[1-(2-hydroxyphenyl)ethyl]-3-methylphenol
CID 66812750
(S)-[3-[(R)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542470
3-chloro-1-(2-hydroxy-6-methylphenyl)propane-1,2-diol
CID 171861659
(2,6-dimethoxy-4-methylphenyl)-phenylmethanol
CID 101134795
2-[methoxy(phenyl)methyl]-1,3-dimethylbenzene
CID 117071500
2-benzhydryl-6-methylphenol
CID 154120751
1,3-dimethyl-2-[1-[2-(1-phenylethyl)phenyl]ethyl]benzene
CID 3024109
2-[(1R)-1-aminopropyl]-3-methylphenol
CID 130648593
benzene-1,2,3-triol;1,2-xylene
CID 175355365

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(phenyl)methyl]-3-methylphenol?
The IUPAC name of 2-[hydroxy(phenyl)methyl]-3-methylphenol (CID 54494463) is 2-[hydroxy(phenyl)methyl]-3-methylphenol.
What is the SMILES notation for 2-[hydroxy(phenyl)methyl]-3-methylphenol?
The canonical SMILES for 2-[hydroxy(phenyl)methyl]-3-methylphenol is Cc1cccc(O)c1C(O)c1ccccc1.
What is the InChIKey of 2-[hydroxy(phenyl)methyl]-3-methylphenol?
The InChIKey is XYBJVDDGIIWMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-10-6-5-9-12(15)13(10)14(16)11-7-3-2-4-8-11/h2-9,14-16H,1H3.
What are the key properties of 2-[hydroxy(phenyl)methyl]-3-methylphenol?
2-[hydroxy(phenyl)methyl]-3-methylphenol has a molecular weight of 214.26 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(phenyl)methyl]-3-methylphenol is sourced from PubChem (CID 54494463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).