(3,5-dimethoxy-4-methylphenyl) formate

C10H12O4 — CID 86657502

IUPAC(3,5-dimethoxy-4-methylphenyl) formate
SMILESCOc1cc(OC=O)cc(OC)c1C
InChIInChI=1S/C10H12O4/c1-7-9(12-2)4-8(14-6-11)5-10(7)13-3/h4-6H,1-3H3
InChIKeyMYCAOHQYISWJJT-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.55
Rot. Bonds4

About (3,5-dimethoxy-4-methylphenyl) formate

(3,5-dimethoxy-4-methylphenyl) formate (PubChem CID 86657502) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is (3,5-dimethoxy-4-methylphenyl) formate.

Molecular Properties

Compound Name(3,5-dimethoxy-4-methylphenyl) formate
PubChem CID86657502
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name(3,5-dimethoxy-4-methylphenyl) formate
SMILESCOc1cc(OC=O)cc(OC)c1C
InChIInChI=1S/C10H12O4/c1-7-9(12-2)4-8(14-6-11)5-10(7)13-3/h4-6H,1-3H3
InChIKeyMYCAOHQYISWJJT-UHFFFAOYSA-N
XLogP1.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethoxy-2-methylbenzaldehyde
CID 10214428
(2,4-dimethoxyphenyl) formate
CID 11137749
3-(4-formyloxy-2,6-dimethoxyphenyl)propanoic acid
CID 175274116
1,3-dimethoxy-2,5-dimethylbenzene
CID 524839
(4-ethoxy-2-methoxyphenyl) formate
CID 54118275
[3-(dimethoxymethyl)-5-methoxyphenyl] formate
CID 22948034
[3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl] formate
CID 174976260
(4-methoxy-3-methylphenyl) 4-formyloxybenzoate
CID 145128085
(6-methylpyridazin-4-yl) formate
CID 135195988
[4-(4-methoxyphenoxy)phenyl] formate
CID 88935611
1-(3,5-dimethoxy-4-methylphenyl)ethanone
CID 20697318
[3,5-di(propan-2-yl)phenyl] formate
CID 91805824

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxy-4-methylphenyl) formate?
The IUPAC name of (3,5-dimethoxy-4-methylphenyl) formate (CID 86657502) is (3,5-dimethoxy-4-methylphenyl) formate.
What is the SMILES notation for (3,5-dimethoxy-4-methylphenyl) formate?
The canonical SMILES for (3,5-dimethoxy-4-methylphenyl) formate is COc1cc(OC=O)cc(OC)c1C.
What is the InChIKey of (3,5-dimethoxy-4-methylphenyl) formate?
The InChIKey is MYCAOHQYISWJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-7-9(12-2)4-8(14-6-11)5-10(7)13-3/h4-6H,1-3H3.
What are the key properties of (3,5-dimethoxy-4-methylphenyl) formate?
(3,5-dimethoxy-4-methylphenyl) formate has a molecular weight of 196.20 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxy-4-methylphenyl) formate is sourced from PubChem (CID 86657502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).