2-[2-[[3-(hydroxymethyl)phenoxy]methyl]phenyl]acetic acid

C16H16O4 — CID 115460733

IUPAC2-[2-[[3-(hydroxymethyl)phenoxy]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1COc1cccc(CO)c1
InChIInChI=1S/C16H16O4/c17-10-12-4-3-7-15(8-12)20-11-14-6-2-1-5-13(14)9-16(18)19/h1-8,17H,9-11H2,(H,18,19)
InChIKeyJDAPRUHSDKUBFT-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.38
Rot. Bonds6

About 2-[2-[[3-(hydroxymethyl)phenoxy]methyl]phenyl]acetic acid

2-[2-[[3-(hydroxymethyl)phenoxy]methyl]phenyl]acetic acid (PubChem CID 115460733) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[2-[[3-(hydroxymethyl)phenoxy]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[3-(hydroxymethyl)phenoxy]methyl]phenyl]acetic acid
PubChem CID115460733
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name2-[2-[[3-(hydroxymethyl)phenoxy]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1COc1cccc(CO)c1
InChIInChI=1S/C16H16O4/c17-10-12-4-3-7-15(8-12)20-11-14-6-2-1-5-13(14)9-16(18)19/h1-8,17H,9-11H2,(H,18,19)
InChIKeyJDAPRUHSDKUBFT-UHFFFAOYSA-N
XLogP2.38
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(3-iodophenoxy)methyl]phenyl]acetic acid
CID 113314320
2-[3-[(2-methoxycarbonylphenyl)methoxy]phenyl]acetic acid
CID 68872970
4-[[3-(hydroxymethyl)phenoxy]methyl]-3-methylbenzoic acid
CID 114485771
2-[2-[(3,4-difluorophenoxy)methyl]phenyl]acetic acid
CID 115460701
3-[3-[(2-chlorophenyl)methoxy]phenyl]propanoic acid
CID 83952241
methyl (E)-2-[2-[[3-(hydroxymethyl)phenoxy]methyl]phenyl]-3-methoxyprop-2-enoate
CID 70010332
[3-(naphthalen-2-ylmethoxy)phenyl]methanol
CID 15778115
2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
CID 22241469
5-[[3-(hydroxymethyl)phenoxy]methyl]thiophene-2-carboxylic acid
CID 55183087
[3-[[2-(aminomethyl)-4-fluorophenyl]methoxy]phenyl]methanol
CID 63289394
6-[[3-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid
CID 106903344
[3-(oxiren-2-ylmethoxy)phenyl]methanol
CID 163982140

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(hydroxymethyl)phenoxy]methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[[3-(hydroxymethyl)phenoxy]methyl]phenyl]acetic acid (CID 115460733) is 2-[2-[[3-(hydroxymethyl)phenoxy]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[3-(hydroxymethyl)phenoxy]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[3-(hydroxymethyl)phenoxy]methyl]phenyl]acetic acid is O=C(O)Cc1ccccc1COc1cccc(CO)c1.
What is the InChIKey of 2-[2-[[3-(hydroxymethyl)phenoxy]methyl]phenyl]acetic acid?
The InChIKey is JDAPRUHSDKUBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c17-10-12-4-3-7-15(8-12)20-11-14-6-2-1-5-13(14)9-16(18)19/h1-8,17H,9-11H2,(H,18,19).
What are the key properties of 2-[2-[[3-(hydroxymethyl)phenoxy]methyl]phenyl]acetic acid?
2-[2-[[3-(hydroxymethyl)phenoxy]methyl]phenyl]acetic acid has a molecular weight of 272.30 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(hydroxymethyl)phenoxy]methyl]phenyl]acetic acid is sourced from PubChem (CID 115460733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).