2-(4-hydroxyphenyl)acetic acid;methyl 2-(4-hydroxyphenyl)acetate

C17H18O6 — CID 159047656

IUPAC2-(4-hydroxyphenyl)acetic acid;methyl 2-(4-hydroxyphenyl)acetate
SMILESCOC(=O)Cc1ccc(O)cc1.O=C(O)Cc1ccc(O)cc1
InChIInChI=1S/C9H10O3.C8H8O3/c1-12-9(11)6-7-2-4-8(10)5-3-7;9-7-3-1-6(2-4-7)5-8(10)11/h2-5,10H,6H2,1H3;1-4,9H,5H2,(H,10,11)
InChIKeyJWVXZHQDGSDSGX-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.13
Rot. Bonds4

About 2-(4-hydroxyphenyl)acetic acid;methyl 2-(4-hydroxyphenyl)acetate

2-(4-hydroxyphenyl)acetic acid;methyl 2-(4-hydroxyphenyl)acetate (PubChem CID 159047656) has the molecular formula C17H18O6 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)acetic acid;methyl 2-(4-hydroxyphenyl)acetate.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)acetic acid;methyl 2-(4-hydroxyphenyl)acetate
PubChem CID159047656
Molecular FormulaC17H18O6
Molecular Weight318.33 g/mol
Exact Mass318.11
IUPAC Name2-(4-hydroxyphenyl)acetic acid;methyl 2-(4-hydroxyphenyl)acetate
SMILESCOC(=O)Cc1ccc(O)cc1.O=C(O)Cc1ccc(O)cc1
InChIInChI=1S/C9H10O3.C8H8O3/c1-12-9(11)6-7-2-4-8(10)5-3-7;9-7-3-1-6(2-4-7)5-8(10)11/h2-5,10H,6H2,1H3;1-4,9H,5H2,(H,10,11)
InChIKeyJWVXZHQDGSDSGX-UHFFFAOYSA-N
XLogP2.13
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(4-hydroxyphenyl)acetic acid;methyl 2-(4-hydroxyphenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[4-(4-hydroxyphenyl)phenyl]acetate
CID 86088038
2-[4-[[(4-hydroxyphenyl)methylamino]methyl]phenyl]acetic acid
CID 103268485
CID 172801156
CID 172801156
acetyl chloride;2-(3,4-dihydroxyphenyl)acetic acid;methyl 2-(3,4-dihydroxyphenyl)acetate
CID 160505417
methane;methyl 2-(4-hydroxyphenyl)acetate;methyl 2-[4-(trifluoromethylsulfonyloxy)phenyl]acetate;trifluoromethylsulfonyl trifluoromethanesulfonate
CID 160906963
methane;methanol;methyl 2-thiophen-3-ylacetate;2-thiophen-3-ylacetic acid
CID 157188448
methyl 2-[4-(acetyloxymethyl)phenyl]acetate
CID 14793789
bis(methyl 2-phenoxyacetate);hexakis(methyl 2-phenylacetate);bis(2-phenylacetic acid)
CID 174488693
methyl 2-[4-(methylaminomethyl)phenyl]acetate
CID 23594251
carbon dioxide;methyl 2-phenylacetate
CID 159198536
sodium 4-(2-methoxy-2-oxoethyl)phenolate
CID 70152543
2-(4-methoxycarbonylphenyl)acetic acid
CID 10797879

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)acetic acid;methyl 2-(4-hydroxyphenyl)acetate?
The IUPAC name of 2-(4-hydroxyphenyl)acetic acid;methyl 2-(4-hydroxyphenyl)acetate (CID 159047656) is 2-(4-hydroxyphenyl)acetic acid;methyl 2-(4-hydroxyphenyl)acetate.
What is the SMILES notation for 2-(4-hydroxyphenyl)acetic acid;methyl 2-(4-hydroxyphenyl)acetate?
The canonical SMILES for 2-(4-hydroxyphenyl)acetic acid;methyl 2-(4-hydroxyphenyl)acetate is COC(=O)Cc1ccc(O)cc1.O=C(O)Cc1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)acetic acid;methyl 2-(4-hydroxyphenyl)acetate?
The InChIKey is JWVXZHQDGSDSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.C8H8O3/c1-12-9(11)6-7-2-4-8(10)5-3-7;9-7-3-1-6(2-4-7)5-8(10)11/h2-5,10H,6H2,1H3;1-4,9H,5H2,(H,10,11).
What are the key properties of 2-(4-hydroxyphenyl)acetic acid;methyl 2-(4-hydroxyphenyl)acetate?
2-(4-hydroxyphenyl)acetic acid;methyl 2-(4-hydroxyphenyl)acetate has a molecular weight of 318.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)acetic acid;methyl 2-(4-hydroxyphenyl)acetate is sourced from PubChem (CID 159047656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).