(4-phenylphenoxy)methanol

C13H12O2 — CID 71028246

IUPAC(4-phenylphenoxy)methanol
SMILESOCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H12O2/c14-10-15-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14H,10H2
InChIKeyVAWOKCLJAICYHS-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.68
Rot. Bonds3

About (4-phenylphenoxy)methanol

(4-phenylphenoxy)methanol (PubChem CID 71028246) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is (4-phenylphenoxy)methanol.

Molecular Properties

Compound Name(4-phenylphenoxy)methanol
PubChem CID71028246
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name(4-phenylphenoxy)methanol
SMILESOCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H12O2/c14-10-15-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14H,10H2
InChIKeyVAWOKCLJAICYHS-UHFFFAOYSA-N
XLogP2.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 86003700
1-ethoxy-4-phenylbenzene;phenol
CID 174652155
potassium trifluoro-[(4-phenylphenoxy)methyl]boranuide
CID 63705482
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
1-(ethoxymethoxy)-4-phenylbenzene
CID 146557132
2-(methylamino)-3-(4-phenylphenoxy)propan-1-ol
CID 64809575
[4-[4-(hydroxymethoxy)phenyl]phenyl]methylphosphonic acid
CID 150527208
2-[(4-phenylphenoxy)methyl]prop-2-enoic acid
CID 13368547
1-[(4-phenylphenoxy)methyl]cyclopentan-1-ol
CID 65212692
3-[(4-phenylphenoxy)methyl]pentan-3-ol
CID 114496033
(2R)-1-bromo-3-(4-phenylphenoxy)propan-2-ol
CID 101048888
1-(4-phenylphenoxy)butan-2-one
CID 62041258

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenoxy)methanol?
The IUPAC name of (4-phenylphenoxy)methanol (CID 71028246) is (4-phenylphenoxy)methanol.
What is the SMILES notation for (4-phenylphenoxy)methanol?
The canonical SMILES for (4-phenylphenoxy)methanol is OCOc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-phenylphenoxy)methanol?
The InChIKey is VAWOKCLJAICYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c14-10-15-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14H,10H2.
What are the key properties of (4-phenylphenoxy)methanol?
(4-phenylphenoxy)methanol has a molecular weight of 200.24 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenoxy)methanol is sourced from PubChem (CID 71028246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).