5-hydroxy-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one

C15H12O3 — CID 134964342

IUPAC5-hydroxy-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one
SMILESO=C1Cc2cc(OCc3ccccc3)cc(O)c21
InChIInChI=1S/C15H12O3/c16-13-7-11-6-12(8-14(17)15(11)13)18-9-10-4-2-1-3-5-10/h1-6,8,17H,7,9H2
InChIKeyCUIKECOKDHWADI-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.71
Rot. Bonds3

About 5-hydroxy-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one

5-hydroxy-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one (PubChem CID 134964342) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-hydroxy-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one.

Molecular Properties

Compound Name5-hydroxy-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one
PubChem CID134964342
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name5-hydroxy-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one
SMILESO=C1Cc2cc(OCc3ccccc3)cc(O)c21
InChIInChI=1S/C15H12O3/c16-13-7-11-6-12(8-14(17)15(11)13)18-9-10-4-2-1-3-5-10/h1-6,8,17H,7,9H2
InChIKeyCUIKECOKDHWADI-UHFFFAOYSA-N
XLogP2.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cesium 5,11,17,23,29,35,41-heptakis(phenylmethoxy)octacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol
CID 71610242
(4R)-18-hydroxy-4-methyl-16-phenylmethoxy-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-one
CID 134918957
5-hydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2,3-dihydrochromen-4-one
CID 54587409
6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 139435678
8-methylidene-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene;4-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one
CID 160808164
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
2-hydroxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 71406162
(3-hydroxy-5-phenylmethoxyphenyl)-phenylmethanone
CID 71119902
4-ethyl-5-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one
CID 123774100
5-phenylmethoxy-3H-1-benzofuran-2-one
CID 50887902
phenoxymethylbenzene;sulfuric acid
CID 68982967
2-methyl-4,6-bis(phenylmethoxy)phenol
CID 11301646

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one?
The IUPAC name of 5-hydroxy-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one (CID 134964342) is 5-hydroxy-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one.
What is the SMILES notation for 5-hydroxy-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one?
The canonical SMILES for 5-hydroxy-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one is O=C1Cc2cc(OCc3ccccc3)cc(O)c21.
What is the InChIKey of 5-hydroxy-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one?
The InChIKey is CUIKECOKDHWADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c16-13-7-11-6-12(8-14(17)15(11)13)18-9-10-4-2-1-3-5-10/h1-6,8,17H,7,9H2.
What are the key properties of 5-hydroxy-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one?
5-hydroxy-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one has a molecular weight of 240.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one is sourced from PubChem (CID 134964342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).