2-phenylmethoxyethanol

C9H12O2 — CID 12141

IUPAC2-phenylmethoxyethanol
SMILESOCCOCc1ccccc1
InChIInChI=1S/C9H12O2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyCUZKCNWZBXLAJX-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.20
Rot. Bonds4

About 2-phenylmethoxyethanol

2-phenylmethoxyethanol (PubChem CID 12141) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-phenylmethoxyethanol.

Molecular Properties

Compound Name2-phenylmethoxyethanol
PubChem CID12141
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-phenylmethoxyethanol
SMILESOCCOCc1ccccc1
InChIInChI=1S/C9H12O2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyCUZKCNWZBXLAJX-UHFFFAOYSA-N
XLogP1.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Benzyl Alcohol
CID 244
Benzyl acetate
CID 8785
Dibenzyl ether
CID 7657
Benzyl formate
CID 7708
1-Phenyl-1,2-ethanediol
CID 7149
Benzyl ethyl ether
CID 10873
Benzyl butyl ether
CID 61134
Benzyl methyl ether
CID 10869
1,3-Dioxan-5-ol, 2-phenyl-
CID 74362
1-Benzyloxy-1-(2-methoxyethoxy)ethane
CID 22235151
Benzyl lactate
CID 98054
Benzyl octyl ether
CID 347508

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxyethanol?
The IUPAC name of 2-phenylmethoxyethanol (CID 12141) is 2-phenylmethoxyethanol.
What is the SMILES notation for 2-phenylmethoxyethanol?
The canonical SMILES for 2-phenylmethoxyethanol is OCCOCc1ccccc1.
What is the InChIKey of 2-phenylmethoxyethanol?
The InChIKey is CUZKCNWZBXLAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2.
What are the key properties of 2-phenylmethoxyethanol?
2-phenylmethoxyethanol has a molecular weight of 152.19 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxyethanol is sourced from PubChem (CID 12141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).