anisole;1-phenoxyethanol

C15H18O3 — CID 143208941

IUPACanisole;1-phenoxyethanol
SMILESCC(O)Oc1ccccc1.COc1ccccc1
InChIInChI=1S/C8H10O2.C7H8O/c1-7(9)10-8-5-3-2-4-6-8;1-8-7-5-3-2-4-6-7/h2-7,9H,1H3;2-6H,1H3
InChIKeyLCDGLCQVCGUNGM-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.10
Rot. Bonds3

About anisole;1-phenoxyethanol

anisole;1-phenoxyethanol (PubChem CID 143208941) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is anisole;1-phenoxyethanol.

Molecular Properties

Compound Nameanisole;1-phenoxyethanol
PubChem CID143208941
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Nameanisole;1-phenoxyethanol
SMILESCC(O)Oc1ccccc1.COc1ccccc1
InChIInChI=1S/C8H10O2.C7H8O/c1-7(9)10-8-5-3-2-4-6-8;1-8-7-5-3-2-4-6-7/h2-7,9H,1H3;2-6H,1H3
InChIKeyLCDGLCQVCGUNGM-UHFFFAOYSA-N
XLogP3.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenoxyethanol
CID 66611531
1-phenoxyethanol;trihydrate
CID 175915128
chloroform;1-phenoxyethanol
CID 160851082
1-[4-(4-methoxyphenyl)phenoxy]ethanol
CID 19939691
magnesium;1-phenoxyethanol;sulfate
CID 159781449
anisole;ethane;methane;2-methylpropane
CID 159356491
2-methylprop-2-enoic acid;1-phenoxyethanol
CID 67581727
anisole;trihydrofluoride
CID 174796385
CID 172685187
CID 172685187
anisole;hydrochloride
CID 158800007
azane;aziridin-2-ol;1-phenoxyethanol
CID 20544565
(1R,2S)-1-(4-methoxyphenoxy)-1-phenylpropan-2-ol
CID 135066400

Frequently Asked Questions

What is the IUPAC name of anisole;1-phenoxyethanol?
The IUPAC name of anisole;1-phenoxyethanol (CID 143208941) is anisole;1-phenoxyethanol.
What is the SMILES notation for anisole;1-phenoxyethanol?
The canonical SMILES for anisole;1-phenoxyethanol is CC(O)Oc1ccccc1.COc1ccccc1.
What is the InChIKey of anisole;1-phenoxyethanol?
The InChIKey is LCDGLCQVCGUNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2.C7H8O/c1-7(9)10-8-5-3-2-4-6-8;1-8-7-5-3-2-4-6-7/h2-7,9H,1H3;2-6H,1H3.
What are the key properties of anisole;1-phenoxyethanol?
anisole;1-phenoxyethanol has a molecular weight of 246.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;1-phenoxyethanol is sourced from PubChem (CID 143208941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).