2-(3-methylphenyl)ethanolate

C9H11O- — CID 142208639

IUPAC2-(3-methylphenyl)ethanolate
SMILESCc1cccc(CC[O-])c1
InChIInChI=1S/C9H11O/c1-8-3-2-4-9(7-8)5-6-10/h2-4,7H,5-6H2,1H3/q-1
InChIKeyKKLCPGORMVBDHT-UHFFFAOYSA-N
MW135.19 g/mol
LogP0.90
Rot. Bonds2

About 2-(3-methylphenyl)ethanolate

2-(3-methylphenyl)ethanolate (PubChem CID 142208639) has the molecular formula C9H11O- and a molecular weight of 135.19 g/mol. Its IUPAC name is 2-(3-methylphenyl)ethanolate.

Molecular Properties

Compound Name2-(3-methylphenyl)ethanolate
PubChem CID142208639
Molecular FormulaC9H11O-
Molecular Weight135.19 g/mol
Exact Mass135.08
IUPAC Name2-(3-methylphenyl)ethanolate
SMILESCc1cccc(CC[O-])c1
InChIInChI=1S/C9H11O/c1-8-3-2-4-9(7-8)5-6-10/h2-4,7H,5-6H2,1H3/q-1
InChIKeyKKLCPGORMVBDHT-UHFFFAOYSA-N
XLogP0.90
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
2-(3-methylphenyl)ethanamine;hydrochloride
CID 47003273
3-(3-methylphenyl)propan-1-amine
CID 12666388
4-(3-methylphenyl)-2-oxobutanoic acid
CID 82185755
ethane;1-methyl-3-pentylbenzene
CID 143267779
1-butyl-3-methylbenzene;ethane;propane
CID 142068173
3-(3-methylphenyl)propyl nitrate
CID 145116632
CID 59201849
CID 59201849
ethane;bis(1-ethyl-3-methylbenzene)
CID 142878274
2,4-dimethyl-1-[2-(3-methylphenyl)ethyl]benzene
CID 165145096
1-(3,3-difluorobutyl)-3-methylbenzene
CID 169204430
1-methyl-2-[2-(3-methylphenyl)ethyl]benzene
CID 13419836

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)ethanolate?
The IUPAC name of 2-(3-methylphenyl)ethanolate (CID 142208639) is 2-(3-methylphenyl)ethanolate.
What is the SMILES notation for 2-(3-methylphenyl)ethanolate?
The canonical SMILES for 2-(3-methylphenyl)ethanolate is Cc1cccc(CC[O-])c1.
What is the InChIKey of 2-(3-methylphenyl)ethanolate?
The InChIKey is KKLCPGORMVBDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O/c1-8-3-2-4-9(7-8)5-6-10/h2-4,7H,5-6H2,1H3/q-1.
What are the key properties of 2-(3-methylphenyl)ethanolate?
2-(3-methylphenyl)ethanolate has a molecular weight of 135.19 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)ethanolate is sourced from PubChem (CID 142208639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).