2-(2-hydroxyphenyl)-2-(oxan-4-yl)acetic acid

C13H16O4 — CID 105497526

IUPAC2-(2-hydroxyphenyl)-2-(oxan-4-yl)acetic acid
SMILESO=C(O)C(c1ccccc1O)C1CCOCC1
InChIInChI=1S/C13H16O4/c14-11-4-2-1-3-10(11)12(13(15)16)9-5-7-17-8-6-9/h1-4,9,12,14H,5-8H2,(H,15,16)
InChIKeyGHSUKZNWVLSMOK-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.99
Rot. Bonds3

About 2-(2-hydroxyphenyl)-2-(oxan-4-yl)acetic acid

2-(2-hydroxyphenyl)-2-(oxan-4-yl)acetic acid (PubChem CID 105497526) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-2-(oxan-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-2-(oxan-4-yl)acetic acid
PubChem CID105497526
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name2-(2-hydroxyphenyl)-2-(oxan-4-yl)acetic acid
SMILESO=C(O)C(c1ccccc1O)C1CCOCC1
InChIInChI=1S/C13H16O4/c14-11-4-2-1-3-10(11)12(13(15)16)9-5-7-17-8-6-9/h1-4,9,12,14H,5-8H2,(H,15,16)
InChIKeyGHSUKZNWVLSMOK-UHFFFAOYSA-N
XLogP1.99
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-2-(2-hydroxyphenyl)acetic acid
CID 22178850
2-(4-fluorophenyl)-2-(oxan-4-yl)acetic acid
CID 82388803
2-cyclobutyl-2-(2-methylphenyl)acetic acid
CID 83687024
2-(2-bromophenyl)-2-cycloheptylacetic acid
CID 82929403
3-(2-bromophenyl)-2-(oxan-4-yl)propanoic acid
CID 79418749
2-(2-bromofuran-3-yl)-2-cyclopropylacetic acid
CID 82664923
2-[(S)-morpholin-4-yl(phenyl)methyl]phenol
CID 36690968
2-amino-2-(oxan-4-yl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 120789992
2-(2-methoxyphenyl)-2-(oxan-4-yloxy)acetic acid
CID 142421148
(1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-(2-hydroxyphenyl)acetate bromide
CID 66605372
(2S)-1-morpholin-4-yl-2-[[(1S)-1-(oxan-4-yl)ethyl]amino]-2-phenylethanone
CID 97227101
2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(oxan-4-yl)ethanone
CID 120792528

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-2-(oxan-4-yl)acetic acid?
The IUPAC name of 2-(2-hydroxyphenyl)-2-(oxan-4-yl)acetic acid (CID 105497526) is 2-(2-hydroxyphenyl)-2-(oxan-4-yl)acetic acid.
What is the SMILES notation for 2-(2-hydroxyphenyl)-2-(oxan-4-yl)acetic acid?
The canonical SMILES for 2-(2-hydroxyphenyl)-2-(oxan-4-yl)acetic acid is O=C(O)C(c1ccccc1O)C1CCOCC1.
What is the InChIKey of 2-(2-hydroxyphenyl)-2-(oxan-4-yl)acetic acid?
The InChIKey is GHSUKZNWVLSMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c14-11-4-2-1-3-10(11)12(13(15)16)9-5-7-17-8-6-9/h1-4,9,12,14H,5-8H2,(H,15,16).
What are the key properties of 2-(2-hydroxyphenyl)-2-(oxan-4-yl)acetic acid?
2-(2-hydroxyphenyl)-2-(oxan-4-yl)acetic acid has a molecular weight of 236.27 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-2-(oxan-4-yl)acetic acid is sourced from PubChem (CID 105497526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).