2-[(4-ethenylphenyl)methoxy]-6-hydroxy-4-methylbenzoic acid

C17H16O4 — CID 89216840

IUPAC2-[(4-ethenylphenyl)methoxy]-6-hydroxy-4-methylbenzoic acid
SMILESC=Cc1ccc(COc2cc(C)cc(O)c2C(=O)O)cc1
InChIInChI=1S/C17H16O4/c1-3-12-4-6-13(7-5-12)10-21-15-9-11(2)8-14(18)16(15)17(19)20/h3-9,18H,1,10H2,2H3,(H,19,20)
InChIKeyMPRCMSXOFAIMID-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.62
Rot. Bonds5

About 2-[(4-ethenylphenyl)methoxy]-6-hydroxy-4-methylbenzoic acid

2-[(4-ethenylphenyl)methoxy]-6-hydroxy-4-methylbenzoic acid (PubChem CID 89216840) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[(4-ethenylphenyl)methoxy]-6-hydroxy-4-methylbenzoic acid.

Molecular Properties

Compound Name2-[(4-ethenylphenyl)methoxy]-6-hydroxy-4-methylbenzoic acid
PubChem CID89216840
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name2-[(4-ethenylphenyl)methoxy]-6-hydroxy-4-methylbenzoic acid
SMILESC=Cc1ccc(COc2cc(C)cc(O)c2C(=O)O)cc1
InChIInChI=1S/C17H16O4/c1-3-12-4-6-13(7-5-12)10-21-15-9-11(2)8-14(18)16(15)17(19)20/h3-9,18H,1,10H2,2H3,(H,19,20)
InChIKeyMPRCMSXOFAIMID-UHFFFAOYSA-N
XLogP3.62
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-ethenylphenyl)methoxy]benzoic acid
CID 168678013
4-[(2,3,5-trimethylphenoxy)methyl]benzoic acid
CID 7017419
2-hydroxy-2-methyl-1-[2,3,4-tris[(4-ethenylphenyl)methoxy]phenyl]propan-1-one
CID 135364367
9-[(4-ethenylphenyl)methoxy]-7-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
CID 854116
(4-ethenylphenyl)methyl 2-methylprop-2-enoate
CID 14794067
4-[(2,5-dimethylphenoxy)methyl]benzoic acid
CID 7015959
5-methyl-3-phenylmethoxy-2-[(E)-3-phenylprop-2-enyl]phenol
CID 163442427
[5-[(4-ethenylphenyl)methoxy]-2-hydroxy-3-methoxyphenyl]methanediol
CID 123395006
4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenol
CID 140941316
7-[(4-ethenylphenyl)methoxy]-4-ethyl-8-methylchromen-2-one
CID 883551
methyl 5-ethenyl-3-hydroxy-2-phenylmethoxybenzoate
CID 118992954
2-[(4-ethenylphenyl)methoxycarbonyl]terephthalic acid
CID 54141811

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethenylphenyl)methoxy]-6-hydroxy-4-methylbenzoic acid?
The IUPAC name of 2-[(4-ethenylphenyl)methoxy]-6-hydroxy-4-methylbenzoic acid (CID 89216840) is 2-[(4-ethenylphenyl)methoxy]-6-hydroxy-4-methylbenzoic acid.
What is the SMILES notation for 2-[(4-ethenylphenyl)methoxy]-6-hydroxy-4-methylbenzoic acid?
The canonical SMILES for 2-[(4-ethenylphenyl)methoxy]-6-hydroxy-4-methylbenzoic acid is C=Cc1ccc(COc2cc(C)cc(O)c2C(=O)O)cc1.
What is the InChIKey of 2-[(4-ethenylphenyl)methoxy]-6-hydroxy-4-methylbenzoic acid?
The InChIKey is MPRCMSXOFAIMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-3-12-4-6-13(7-5-12)10-21-15-9-11(2)8-14(18)16(15)17(19)20/h3-9,18H,1,10H2,2H3,(H,19,20).
What are the key properties of 2-[(4-ethenylphenyl)methoxy]-6-hydroxy-4-methylbenzoic acid?
2-[(4-ethenylphenyl)methoxy]-6-hydroxy-4-methylbenzoic acid has a molecular weight of 284.31 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethenylphenyl)methoxy]-6-hydroxy-4-methylbenzoic acid is sourced from PubChem (CID 89216840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).