1-ethyl-2-methylbenzene;phenol

C15H18O — CID 161311856

IUPAC1-ethyl-2-methylbenzene;phenol
SMILESCCc1ccccc1C.Oc1ccccc1
InChIInChI=1S/C9H12.C6H6O/c1-3-9-7-5-4-6-8(9)2;7-6-4-2-1-3-5-6/h4-7H,3H2,1-2H3;1-5,7H
InChIKeyVIZNHKYDVONUQT-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.95
Rot. Bonds1

About 1-ethyl-2-methylbenzene;phenol

1-ethyl-2-methylbenzene;phenol (PubChem CID 161311856) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-ethyl-2-methylbenzene;phenol.

Molecular Properties

Compound Name1-ethyl-2-methylbenzene;phenol
PubChem CID161311856
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name1-ethyl-2-methylbenzene;phenol
SMILESCCc1ccccc1C.Oc1ccccc1
InChIInChI=1S/C9H12.C6H6O/c1-3-9-7-5-4-6-8(9)2;7-6-4-2-1-3-5-6/h4-7H,3H2,1-2H3;1-5,7H
InChIKeyVIZNHKYDVONUQT-UHFFFAOYSA-N
XLogP3.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-2-methylbenzene;4-(4-hydroxyphenyl)phenol
CID 174751633
acetic acid;1-ethyl-2-methylbenzene
CID 67948051
1-ethyl-2-methylbenzene;propane;toluene
CID 159725880
carbanide;ethane;1-ethyl-2-methylbenzene;yttrium
CID 165046421
benzene;1,2-diethylbenzene;1,2-xylene
CID 174742983
butane;ethane;1-ethyl-2-methylbenzene;methane
CID 144514138
1-ethyl-2-methylbenzene;sulfamide
CID 67800161
1-ethyl-2,3-dimethylbenzene;1-ethyl-2-methylbenzene
CID 158943282
benzene;phenol;propane
CID 157176896
2-(2-methylphenyl)acetic acid
CID 67440217
benzene;2-ethylphenol
CID 159726745
methanol;phenol;propane
CID 91268562

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methylbenzene;phenol?
The IUPAC name of 1-ethyl-2-methylbenzene;phenol (CID 161311856) is 1-ethyl-2-methylbenzene;phenol.
What is the SMILES notation for 1-ethyl-2-methylbenzene;phenol?
The canonical SMILES for 1-ethyl-2-methylbenzene;phenol is CCc1ccccc1C.Oc1ccccc1.
What is the InChIKey of 1-ethyl-2-methylbenzene;phenol?
The InChIKey is VIZNHKYDVONUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C6H6O/c1-3-9-7-5-4-6-8(9)2;7-6-4-2-1-3-5-6/h4-7H,3H2,1-2H3;1-5,7H.
What are the key properties of 1-ethyl-2-methylbenzene;phenol?
1-ethyl-2-methylbenzene;phenol has a molecular weight of 214.31 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylbenzene;phenol is sourced from PubChem (CID 161311856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).