1-ethyl-3-phenoxybenzene;2-methylphenol

C21H22O2 — CID 142875210

IUPAC1-ethyl-3-phenoxybenzene;2-methylphenol
SMILESCCc1cccc(Oc2ccccc2)c1.Cc1ccccc1O
InChIInChI=1S/C14H14O.C7H8O/c1-2-12-7-6-10-14(11-12)15-13-8-4-3-5-9-13;1-6-4-2-3-5-7(6)8/h3-11H,2H2,1H3;2-5,8H,1H3
InChIKeyINNLPCZHQNQATC-UHFFFAOYSA-N
MW306.40 g/mol
LogP5.74
Rot. Bonds3

About 1-ethyl-3-phenoxybenzene;2-methylphenol

1-ethyl-3-phenoxybenzene;2-methylphenol (PubChem CID 142875210) has the molecular formula C21H22O2 and a molecular weight of 306.40 g/mol. Its IUPAC name is 1-ethyl-3-phenoxybenzene;2-methylphenol.

Molecular Properties

Compound Name1-ethyl-3-phenoxybenzene;2-methylphenol
PubChem CID142875210
Molecular FormulaC21H22O2
Molecular Weight306.40 g/mol
Exact Mass306.16
IUPAC Name1-ethyl-3-phenoxybenzene;2-methylphenol
SMILESCCc1cccc(Oc2ccccc2)c1.Cc1ccccc1O
InChIInChI=1S/C14H14O.C7H8O/c1-2-12-7-6-10-14(11-12)15-13-8-4-3-5-9-13;1-6-4-2-3-5-7(6)8/h3-11H,2H2,1H3;2-5,8H,1H3
InChIKeyINNLPCZHQNQATC-UHFFFAOYSA-N
XLogP5.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.40
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-phenoxyphenol
CID 23089676
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
1,3-bis(4-ethylphenoxy)benzene
CID 145452264
(2-methylphenyl) 2-(3-phenoxyphenyl)acetate
CID 91335727
dideuterio-(3-phenoxyphenyl)methanol
CID 12604006
1-[3-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63942734
diethyl 2-[(3-phenoxyphenyl)methyl]propanedioate
CID 10569299
5-[4-(3-ethylphenoxy)phenyl]pentan-1-ol
CID 139655848
CID 163958367
CID 163958367
(3-phenoxyphenyl)methylphosphane
CID 70930904
1-ethyl-4-(3-methylphenoxy)benzene
CID 54200256
1-ethyl-3-(3-phenoxypropoxy)benzene
CID 64765118

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-phenoxybenzene;2-methylphenol?
The IUPAC name of 1-ethyl-3-phenoxybenzene;2-methylphenol (CID 142875210) is 1-ethyl-3-phenoxybenzene;2-methylphenol.
What is the SMILES notation for 1-ethyl-3-phenoxybenzene;2-methylphenol?
The canonical SMILES for 1-ethyl-3-phenoxybenzene;2-methylphenol is CCc1cccc(Oc2ccccc2)c1.Cc1ccccc1O.
What is the InChIKey of 1-ethyl-3-phenoxybenzene;2-methylphenol?
The InChIKey is INNLPCZHQNQATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O.C7H8O/c1-2-12-7-6-10-14(11-12)15-13-8-4-3-5-9-13;1-6-4-2-3-5-7(6)8/h3-11H,2H2,1H3;2-5,8H,1H3.
What are the key properties of 1-ethyl-3-phenoxybenzene;2-methylphenol?
1-ethyl-3-phenoxybenzene;2-methylphenol has a molecular weight of 306.40 g/mol, XLogP of 5.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-phenoxybenzene;2-methylphenol is sourced from PubChem (CID 142875210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).