(2-hydroxy-5-methoxyphenyl)methanediol

C8H10O4 — CID 69473075

IUPAC(2-hydroxy-5-methoxyphenyl)methanediol
SMILESCOc1ccc(O)c(C(O)O)c1
InChIInChI=1S/C8H10O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,8-11H,1H3
InChIKeyDCYHAJPGIMNGPZ-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.38
Rot. Bonds2

About (2-hydroxy-5-methoxyphenyl)methanediol

(2-hydroxy-5-methoxyphenyl)methanediol (PubChem CID 69473075) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is (2-hydroxy-5-methoxyphenyl)methanediol.

Molecular Properties

Compound Name(2-hydroxy-5-methoxyphenyl)methanediol
PubChem CID69473075
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name(2-hydroxy-5-methoxyphenyl)methanediol
SMILESCOc1ccc(O)c(C(O)O)c1
InChIInChI=1S/C8H10O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,8-11H,1H3
InChIKeyDCYHAJPGIMNGPZ-UHFFFAOYSA-N
XLogP0.38
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol
CID 130691846
2-[(1R,2S)-2-amino-1-hydroxypropyl]-4-methoxyphenol
CID 130898802
2-[(1S,2R)-1-amino-2-hydroxypropyl]-4-methoxyphenol;hydrochloride
CID 171267529
2-[(1R)-1-amino-2,2-difluoroethyl]-4-methoxyphenol
CID 130612678
2-[1-(hydroxyamino)ethyl]-4-methoxyphenol
CID 82685754
2-[(1S)-1-amino-2-fluoroethyl]-4-methoxyphenol
CID 130739611
2-(1,2-diaminoethyl)-4-methoxyphenol
CID 55282717
2-(1-aminopropyl)-4-methoxyphenol
CID 19748508
2-[(1S,2R)-1-amino-2-hydroxy-3,3-dimethylbutyl]-4-methoxyphenol
CID 171267542
2-[(1R,2S)-1-amino-2-hydroxy-3-methylpentyl]-4-methoxyphenol
CID 171261862
2-[(1S,2R)-1-amino-2-hydroxypentyl]-4-methoxyphenol
CID 171267548
1-chloro-1-(2-hydroxy-5-methoxyphenyl)propan-2-one
CID 131010117

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-methoxyphenyl)methanediol?
The IUPAC name of (2-hydroxy-5-methoxyphenyl)methanediol (CID 69473075) is (2-hydroxy-5-methoxyphenyl)methanediol.
What is the SMILES notation for (2-hydroxy-5-methoxyphenyl)methanediol?
The canonical SMILES for (2-hydroxy-5-methoxyphenyl)methanediol is COc1ccc(O)c(C(O)O)c1.
What is the InChIKey of (2-hydroxy-5-methoxyphenyl)methanediol?
The InChIKey is DCYHAJPGIMNGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,8-11H,1H3.
What are the key properties of (2-hydroxy-5-methoxyphenyl)methanediol?
(2-hydroxy-5-methoxyphenyl)methanediol has a molecular weight of 170.16 g/mol, XLogP of 0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-methoxyphenyl)methanediol is sourced from PubChem (CID 69473075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).