5-methoxy-2-phenylphenol;propan-2-one

C16H18O3 — CID 175099013

IUPAC5-methoxy-2-phenylphenol;propan-2-one
SMILESCC(C)=O.COc1ccc(-c2ccccc2)c(O)c1
InChIInChI=1S/C13H12O2.C3H6O/c1-15-11-7-8-12(13(14)9-11)10-5-3-2-4-6-10;1-3(2)4/h2-9,14H,1H3;1-2H3
InChIKeyLSWIOBIRGDTZFD-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.66
Rot. Bonds2

About 5-methoxy-2-phenylphenol;propan-2-one

5-methoxy-2-phenylphenol;propan-2-one (PubChem CID 175099013) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-methoxy-2-phenylphenol;propan-2-one.

Molecular Properties

Compound Name5-methoxy-2-phenylphenol;propan-2-one
PubChem CID175099013
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name5-methoxy-2-phenylphenol;propan-2-one
SMILESCC(C)=O.COc1ccc(-c2ccccc2)c(O)c1
InChIInChI=1S/C13H12O2.C3H6O/c1-15-11-7-8-12(13(14)9-11)10-5-3-2-4-6-10;1-3(2)4/h2-9,14H,1H3;1-2H3
InChIKeyLSWIOBIRGDTZFD-UHFFFAOYSA-N
XLogP3.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-2-(4-methoxyphenyl)phenol
CID 10933283
5-methoxy-2-(4-phenyl-1,2-oxazol-5-yl)phenol
CID 135657525
3-hydroxy-4-(4-methoxyphenyl)benzoic acid
CID 53225437
(5-methoxy-2-phenylphenyl) carbamate
CID 121375018
(3-hydroxy-4-phenylphenyl) prop-2-enoate
CID 175065018
(2-hydroxy-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 13466519
2-[3-(2-hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)phenyl]-5-methoxyphenol
CID 20730822
(5-methoxy-2-phenylphenyl)silane
CID 137328723
3-(2-hydroxy-4-methoxyphenyl)benzenesulfinate
CID 175483701
5-methoxy-2-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 143220402
methyl hydrogen carbonate;2-phenylphenol
CID 67829227
5-butoxy-2-phenylphenol
CID 70451587

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-phenylphenol;propan-2-one?
The IUPAC name of 5-methoxy-2-phenylphenol;propan-2-one (CID 175099013) is 5-methoxy-2-phenylphenol;propan-2-one.
What is the SMILES notation for 5-methoxy-2-phenylphenol;propan-2-one?
The canonical SMILES for 5-methoxy-2-phenylphenol;propan-2-one is CC(C)=O.COc1ccc(-c2ccccc2)c(O)c1.
What is the InChIKey of 5-methoxy-2-phenylphenol;propan-2-one?
The InChIKey is LSWIOBIRGDTZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2.C3H6O/c1-15-11-7-8-12(13(14)9-11)10-5-3-2-4-6-10;1-3(2)4/h2-9,14H,1H3;1-2H3.
What are the key properties of 5-methoxy-2-phenylphenol;propan-2-one?
5-methoxy-2-phenylphenol;propan-2-one has a molecular weight of 258.32 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-phenylphenol;propan-2-one is sourced from PubChem (CID 175099013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).