1-(3-hydroxyphenyl)-2,2-dimethoxyethanone

C10H12O4 — CID 19101529

IUPAC1-(3-hydroxyphenyl)-2,2-dimethoxyethanone
SMILESCOC(OC)C(=O)c1cccc(O)c1
InChIInChI=1S/C10H12O4/c1-13-10(14-2)9(12)7-4-3-5-8(11)6-7/h3-6,10-11H,1-2H3
InChIKeyDQFHAKHNSMPFOJ-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.19
Rot. Bonds4

About 1-(3-hydroxyphenyl)-2,2-dimethoxyethanone

1-(3-hydroxyphenyl)-2,2-dimethoxyethanone (PubChem CID 19101529) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-2,2-dimethoxyethanone.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-2,2-dimethoxyethanone
PubChem CID19101529
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name1-(3-hydroxyphenyl)-2,2-dimethoxyethanone
SMILESCOC(OC)C(=O)c1cccc(O)c1
InChIInChI=1S/C10H12O4/c1-13-10(14-2)9(12)7-4-3-5-8(11)6-7/h3-6,10-11H,1-2H3
InChIKeyDQFHAKHNSMPFOJ-UHFFFAOYSA-N
XLogP1.19
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.19
H-Bond Donors ≤ 51
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-amino-1-(3-hydroxyphenyl)propan-1-one;hydrochloride
CID 22601034
2,2-dimethoxy-1-quinolin-6-ylethanone
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1,2-bis(3-hydroxyphenyl)ethane-1,2-dione
CID 13158606
methyl 2-(3-hydroxyphenyl)-2-oxoacetate
CID 19099743
N-(2,2-dimethoxyethyl)-3-hydroxybenzamide
CID 60653076
4-(3-hydroxyphenyl)-3-methyl-4-oxobutanenitrile
CID 82038311
(2S)-1-(3-hydroxyphenyl)-2-phenylbutan-1-one
CID 125480458
2,4-dihydroxy-1-(3-hydroxyphenyl)butan-1-one
CID 22382756
CID 66671873
CID 66671873
CID 174830791
CID 174830791
3-hydroxybenzoic acid;hydrochloride
CID 118389750
1-(3-bromophenyl)-4,4-dimethoxy-2-methylbutane-1,3-dione
CID 114079049

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-2,2-dimethoxyethanone?
The IUPAC name of 1-(3-hydroxyphenyl)-2,2-dimethoxyethanone (CID 19101529) is 1-(3-hydroxyphenyl)-2,2-dimethoxyethanone.
What is the SMILES notation for 1-(3-hydroxyphenyl)-2,2-dimethoxyethanone?
The canonical SMILES for 1-(3-hydroxyphenyl)-2,2-dimethoxyethanone is COC(OC)C(=O)c1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-2,2-dimethoxyethanone?
The InChIKey is DQFHAKHNSMPFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-13-10(14-2)9(12)7-4-3-5-8(11)6-7/h3-6,10-11H,1-2H3.
What are the key properties of 1-(3-hydroxyphenyl)-2,2-dimethoxyethanone?
1-(3-hydroxyphenyl)-2,2-dimethoxyethanone has a molecular weight of 196.20 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-2,2-dimethoxyethanone is sourced from PubChem (CID 19101529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).