2-phenoxybenzoic acid;propan-2-ol

C16H18O4 — CID 159883753

IUPAC2-phenoxybenzoic acid;propan-2-ol
SMILESCC(C)O.O=C(O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C13H10O3.C3H8O/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10;1-3(2)4/h1-9H,(H,14,15);3-4H,1-2H3
InChIKeyNTWFFPTTZYHTDU-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.56
Rot. Bonds3

About 2-phenoxybenzoic acid;propan-2-ol

2-phenoxybenzoic acid;propan-2-ol (PubChem CID 159883753) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-phenoxybenzoic acid;propan-2-ol.

Molecular Properties

Compound Name2-phenoxybenzoic acid;propan-2-ol
PubChem CID159883753
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name2-phenoxybenzoic acid;propan-2-ol
SMILESCC(C)O.O=C(O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C13H10O3.C3H8O/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10;1-3(2)4/h1-9H,(H,14,15);3-4H,1-2H3
InChIKeyNTWFFPTTZYHTDU-UHFFFAOYSA-N
XLogP3.56
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-phenoxybenzoic acid;propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzoic acid;2-phenoxybenzoic acid
CID 160712085
2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
2-(4-formylphenoxy)benzoic acid
CID 19374993
[(2S)-1-amino-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 2498474
2-(3-methyl-4-propan-2-ylphenoxy)benzoic acid
CID 29047649
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
(2-phenoxyphenyl)-phenylmethanone
CID 10802273
phenyl 2-phenoxybenzoate
CID 2471273
2,3-diphenoxybenzoic acid;heptane-3,5-diol
CID 175439246
phenyl hydrogen carbonate;2-propan-2-yloxybenzoic acid
CID 66628962
2-(4-nitrophenoxy)benzoic acid
CID 139059188

Frequently Asked Questions

What is the IUPAC name of 2-phenoxybenzoic acid;propan-2-ol?
The IUPAC name of 2-phenoxybenzoic acid;propan-2-ol (CID 159883753) is 2-phenoxybenzoic acid;propan-2-ol.
What is the SMILES notation for 2-phenoxybenzoic acid;propan-2-ol?
The canonical SMILES for 2-phenoxybenzoic acid;propan-2-ol is CC(C)O.O=C(O)c1ccccc1Oc1ccccc1.
What is the InChIKey of 2-phenoxybenzoic acid;propan-2-ol?
The InChIKey is NTWFFPTTZYHTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3.C3H8O/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10;1-3(2)4/h1-9H,(H,14,15);3-4H,1-2H3.
What are the key properties of 2-phenoxybenzoic acid;propan-2-ol?
2-phenoxybenzoic acid;propan-2-ol has a molecular weight of 274.32 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxybenzoic acid;propan-2-ol is sourced from PubChem (CID 159883753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).