1-phenoxyethanol;2-phenylethanol

C16H20O3 — CID 70376198

IUPAC1-phenoxyethanol;2-phenylethanol
SMILESCC(O)Oc1ccccc1.OCCc1ccccc1
InChIInChI=1S/C8H10O2.C8H10O/c1-7(9)10-8-5-3-2-4-6-8;9-7-6-8-4-2-1-3-5-8/h2-7,9H,1H3;1-5,9H,6-7H2
InChIKeyCZYPOGFSECPYHA-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.63
Rot. Bonds4

About 1-phenoxyethanol;2-phenylethanol

1-phenoxyethanol;2-phenylethanol (PubChem CID 70376198) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 1-phenoxyethanol;2-phenylethanol.

Molecular Properties

Compound Name1-phenoxyethanol;2-phenylethanol
PubChem CID70376198
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name1-phenoxyethanol;2-phenylethanol
SMILESCC(O)Oc1ccccc1.OCCc1ccccc1
InChIInChI=1S/C8H10O2.C8H10O/c1-7(9)10-8-5-3-2-4-6-8;9-7-6-8-4-2-1-3-5-8/h2-7,9H,1H3;1-5,9H,6-7H2
InChIKeyCZYPOGFSECPYHA-UHFFFAOYSA-N
XLogP2.63
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
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
butane-2,3-diol;2-phenylethanol
CID 175116943
1-phenoxyethanol;trihydrate
CID 175915128
chloroform;1-phenoxyethanol
CID 160851082
anisole;1-phenoxyethanol
CID 143208941
2-aminopropan-1-ol;2-phenylethanol
CID 174837900
magnesium;1-phenoxyethanol;sulfate
CID 159781449
2-[4-(difluoromethoxy)phenyl]ethanol;ethane
CID 142357995
formaldehyde;2-phenylethanol
CID 143785167
1-(3-ethylphenoxy)ethanol
CID 66709778
2-methylprop-2-enoic acid;1-phenoxyethanol
CID 67581727
1-(2-phenylethoxy)butane-2,3-diol
CID 175116942

Frequently Asked Questions

What is the IUPAC name of 1-phenoxyethanol;2-phenylethanol?
The IUPAC name of 1-phenoxyethanol;2-phenylethanol (CID 70376198) is 1-phenoxyethanol;2-phenylethanol.
What is the SMILES notation for 1-phenoxyethanol;2-phenylethanol?
The canonical SMILES for 1-phenoxyethanol;2-phenylethanol is CC(O)Oc1ccccc1.OCCc1ccccc1.
What is the InChIKey of 1-phenoxyethanol;2-phenylethanol?
The InChIKey is CZYPOGFSECPYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2.C8H10O/c1-7(9)10-8-5-3-2-4-6-8;9-7-6-8-4-2-1-3-5-8/h2-7,9H,1H3;1-5,9H,6-7H2.
What are the key properties of 1-phenoxyethanol;2-phenylethanol?
1-phenoxyethanol;2-phenylethanol has a molecular weight of 260.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxyethanol;2-phenylethanol is sourced from PubChem (CID 70376198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).