2-(3-hydroxy-2-methoxyphenyl)propane-1,1,1-triol

C10H14O5 — CID 172561834

IUPAC2-(3-hydroxy-2-methoxyphenyl)propane-1,1,1-triol
SMILESCOc1c(O)cccc1C(C)C(O)(O)O
InChIInChI=1S/C10H14O5/c1-6(10(12,13)14)7-4-3-5-8(11)9(7)15-2/h3-6,11-14H,1-2H3
InChIKeyHGJHKGJOIDCYDV-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.14
Rot. Bonds3

About 2-(3-hydroxy-2-methoxyphenyl)propane-1,1,1-triol

2-(3-hydroxy-2-methoxyphenyl)propane-1,1,1-triol (PubChem CID 172561834) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(3-hydroxy-2-methoxyphenyl)propane-1,1,1-triol.

Molecular Properties

Compound Name2-(3-hydroxy-2-methoxyphenyl)propane-1,1,1-triol
PubChem CID172561834
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name2-(3-hydroxy-2-methoxyphenyl)propane-1,1,1-triol
SMILESCOc1c(O)cccc1C(C)C(O)(O)O
InChIInChI=1S/C10H14O5/c1-6(10(12,13)14)7-4-3-5-8(11)9(7)15-2/h3-6,11-14H,1-2H3
InChIKeyHGJHKGJOIDCYDV-UHFFFAOYSA-N
XLogP0.14
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 130664696
3-[fluoro(isocyanato)methyl]-2-methoxyphenol
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2-methoxy-3-[(2-methylphenyl)-sulfanylmethyl]phenol
CID 173122921
ethyl 2-fluoro-2-(3-hydroxy-2-methoxyphenyl)acetate
CID 105485266
1-[(1S)-1-bromoethyl]-3-[(1R)-1-bromoethyl]-2-methoxybenzene
CID 676972
3-(3-hydroxy-2-methoxyanilino)-2-methoxyphenol
CID 57011726
2-methoxy-3-pyrimidin-2-ylphenol
CID 90882512
1-tert-butyl-2-methoxy-3-propan-2-ylbenzene
CID 58817173
2-methoxy-3-(methylamino)phenol
CID 68789660
5-[(1R)-1-aminoethyl]naphthalen-1-ol
CID 131150444
2-(2-methoxy-3-propan-2-ylphenyl)propan-1-ol
CID 117297911
1-bromo-2-methoxy-3-propan-2-ylbenzene
CID 11333670

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-methoxyphenyl)propane-1,1,1-triol?
The IUPAC name of 2-(3-hydroxy-2-methoxyphenyl)propane-1,1,1-triol (CID 172561834) is 2-(3-hydroxy-2-methoxyphenyl)propane-1,1,1-triol.
What is the SMILES notation for 2-(3-hydroxy-2-methoxyphenyl)propane-1,1,1-triol?
The canonical SMILES for 2-(3-hydroxy-2-methoxyphenyl)propane-1,1,1-triol is COc1c(O)cccc1C(C)C(O)(O)O.
What is the InChIKey of 2-(3-hydroxy-2-methoxyphenyl)propane-1,1,1-triol?
The InChIKey is HGJHKGJOIDCYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-6(10(12,13)14)7-4-3-5-8(11)9(7)15-2/h3-6,11-14H,1-2H3.
What are the key properties of 2-(3-hydroxy-2-methoxyphenyl)propane-1,1,1-triol?
2-(3-hydroxy-2-methoxyphenyl)propane-1,1,1-triol has a molecular weight of 214.22 g/mol, XLogP of 0.14, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-methoxyphenyl)propane-1,1,1-triol is sourced from PubChem (CID 172561834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).