(4-hydroxyphenyl)-(oxan-2-yl)methanone

C12H14O3 — CID 67839565

IUPAC(4-hydroxyphenyl)-(oxan-2-yl)methanone
SMILESO=C(c1ccc(O)cc1)C1CCCCO1
InChIInChI=1S/C12H14O3/c13-10-6-4-9(5-7-10)12(14)11-3-1-2-8-15-11/h4-7,11,13H,1-3,8H2
InChIKeySUKPQKHSUVSFBF-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.14
Rot. Bonds2

About (4-hydroxyphenyl)-(oxan-2-yl)methanone

(4-hydroxyphenyl)-(oxan-2-yl)methanone (PubChem CID 67839565) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (4-hydroxyphenyl)-(oxan-2-yl)methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-(oxan-2-yl)methanone
PubChem CID67839565
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(4-hydroxyphenyl)-(oxan-2-yl)methanone
SMILESO=C(c1ccc(O)cc1)C1CCCCO1
InChIInChI=1S/C12H14O3/c13-10-6-4-9(5-7-10)12(14)11-3-1-2-8-15-11/h4-7,11,13H,1-3,8H2
InChIKeySUKPQKHSUVSFBF-UHFFFAOYSA-N
XLogP2.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-cyclohexylphenyl)-(oxan-2-yl)methanone
CID 62212791
(4-methoxyphenyl)-(oxan-2-yl)methanone
CID 62212790
(4-tert-butylphenyl)-(oxolan-2-yl)methanone
CID 43160044
1,3-dihydro-2-benzofuran-5-yl(oxan-2-yl)methanone
CID 63021604
(4-methylphenyl)-(oxetan-2-yl)methanone
CID 144956572
(3,5-difluorophenyl)-(oxan-2-yl)methanone
CID 114970560
N-[4-(oxolane-2-carbonyl)phenyl]acetamide
CID 43160165
(3-methylphenyl)-(oxan-2-yl)methanone
CID 114962654
(5-chlorothiophen-2-yl)-(oxan-2-yl)methanone
CID 62213512
(3-methylthiophen-2-yl)-(oxan-2-yl)methanone
CID 62214771
oxan-2-yl-(2,4,6-trimethylphenyl)methanone
CID 62214214
(2S)-3-(4-hydroxyphenyl)-2-(oxane-2-carbonylamino)propanoic acid
CID 62213856

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-(oxan-2-yl)methanone?
The IUPAC name of (4-hydroxyphenyl)-(oxan-2-yl)methanone (CID 67839565) is (4-hydroxyphenyl)-(oxan-2-yl)methanone.
What is the SMILES notation for (4-hydroxyphenyl)-(oxan-2-yl)methanone?
The canonical SMILES for (4-hydroxyphenyl)-(oxan-2-yl)methanone is O=C(c1ccc(O)cc1)C1CCCCO1.
What is the InChIKey of (4-hydroxyphenyl)-(oxan-2-yl)methanone?
The InChIKey is SUKPQKHSUVSFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-10-6-4-9(5-7-10)12(14)11-3-1-2-8-15-11/h4-7,11,13H,1-3,8H2.
What are the key properties of (4-hydroxyphenyl)-(oxan-2-yl)methanone?
(4-hydroxyphenyl)-(oxan-2-yl)methanone has a molecular weight of 206.24 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-(oxan-2-yl)methanone is sourced from PubChem (CID 67839565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).