4-(1-hydroxy-2,2-dimethoxyethyl)phenol

C10H14O4 — CID 15515162

IUPAC4-(1-hydroxy-2,2-dimethoxyethyl)phenol
SMILESCOC(OC)C(O)c1ccc(O)cc1
InChIInChI=1S/C10H14O4/c1-13-10(14-2)9(12)7-3-5-8(11)6-4-7/h3-6,9-12H,1-2H3
InChIKeyDJTLEUIWCKATKJ-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.04
Rot. Bonds4

About 4-(1-hydroxy-2,2-dimethoxyethyl)phenol

4-(1-hydroxy-2,2-dimethoxyethyl)phenol (PubChem CID 15515162) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-(1-hydroxy-2,2-dimethoxyethyl)phenol.

Molecular Properties

Compound Name4-(1-hydroxy-2,2-dimethoxyethyl)phenol
PubChem CID15515162
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name4-(1-hydroxy-2,2-dimethoxyethyl)phenol
SMILESCOC(OC)C(O)c1ccc(O)cc1
InChIInChI=1S/C10H14O4/c1-13-10(14-2)9(12)7-3-5-8(11)6-4-7/h3-6,9-12H,1-2H3
InChIKeyDJTLEUIWCKATKJ-UHFFFAOYSA-N
XLogP1.04
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.04
H-Bond Donors ≤ 52
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

(1S)-1-(3,4-difluorophenyl)-2,2-dimethoxyethanol
CID 97030750
[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]azanium
CID 6931144
methyl 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropanoate
CID 62393477
4-[(1S,2S)-2-amino-1-hydroxypropyl]phenol;hydrochloride
CID 90673533
methyl 2-[hydroxy-(4-hydroxyphenyl)methyl]-3-methylbutanoate
CID 55071607
4-[methoxy(trimethylsilyl)methyl]phenol
CID 10656096
3-[2,3-dihydroxy-3-(4-hydroxyphenyl)propoxy]-1-(4-hydroxyphenyl)propane-1,2-diol
CID 162349316
(1S)-1-(4-hydroxyphenyl)propane-1,2,3-triol
CID 141239504
ethyl 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoate
CID 171865553
4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 608116
4-(1-trimethoxysilylethyl)phenol
CID 23121771
1,5-dihydroxy-1,2,4,5-tetrakis(4-hydroxyphenyl)pentan-3-one
CID 174778705

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-2,2-dimethoxyethyl)phenol?
The IUPAC name of 4-(1-hydroxy-2,2-dimethoxyethyl)phenol (CID 15515162) is 4-(1-hydroxy-2,2-dimethoxyethyl)phenol.
What is the SMILES notation for 4-(1-hydroxy-2,2-dimethoxyethyl)phenol?
The canonical SMILES for 4-(1-hydroxy-2,2-dimethoxyethyl)phenol is COC(OC)C(O)c1ccc(O)cc1.
What is the InChIKey of 4-(1-hydroxy-2,2-dimethoxyethyl)phenol?
The InChIKey is DJTLEUIWCKATKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-13-10(14-2)9(12)7-3-5-8(11)6-4-7/h3-6,9-12H,1-2H3.
What are the key properties of 4-(1-hydroxy-2,2-dimethoxyethyl)phenol?
4-(1-hydroxy-2,2-dimethoxyethyl)phenol has a molecular weight of 198.22 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-2,2-dimethoxyethyl)phenol is sourced from PubChem (CID 15515162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).