ethane;2-[1-(3-methylphenyl)cyclopropyl]acetic acid

C14H20O2 — CID 170751280

IUPACethane;2-[1-(3-methylphenyl)cyclopropyl]acetic acid
SMILESCC.Cc1cccc(C2(CC(=O)O)CC2)c1
InChIInChI=1S/C12H14O2.C2H6/c1-9-3-2-4-10(7-9)12(5-6-12)8-11(13)14;1-2/h2-4,7H,5-6,8H2,1H3,(H,13,14);1-2H3
InChIKeyKYEIDDFQUALOKW-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.53
Rot. Bonds3

About ethane;2-[1-(3-methylphenyl)cyclopropyl]acetic acid

ethane;2-[1-(3-methylphenyl)cyclopropyl]acetic acid (PubChem CID 170751280) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is ethane;2-[1-(3-methylphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Nameethane;2-[1-(3-methylphenyl)cyclopropyl]acetic acid
PubChem CID170751280
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Nameethane;2-[1-(3-methylphenyl)cyclopropyl]acetic acid
SMILESCC.Cc1cccc(C2(CC(=O)O)CC2)c1
InChIInChI=1S/C12H14O2.C2H6/c1-9-3-2-4-10(7-9)12(5-6-12)8-11(13)14;1-2/h2-4,7H,5-6,8H2,1H3,(H,13,14);1-2H3
InChIKeyKYEIDDFQUALOKW-UHFFFAOYSA-N
XLogP3.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107682
[1-(3-methylphenyl)cyclopropyl]methanol
CID 55253193
2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid
CID 82077265
2-[1-[3-(methylsulfonylmethyl)phenyl]cyclopropyl]acetic acid
CID 117424606
2-[1-(4-bromo-3-methylphenyl)cyclopropyl]acetic acid
CID 84808527
2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid
CID 84777910
2-[1-(3-bromophenyl)cyclopentyl]acetic acid
CID 68971554
2-[1-[3-(4-methylcyclohexyl)phenyl]cyclopropyl]acetic acid
CID 117434022
1-[1-(isocyanomethyl)cyclopropyl]-3-methylbenzene
CID 84654155
2-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetic acid
CID 66748836
2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107684
ethane;4-ethyl-4-(3-methylphenyl)oxane
CID 143442459

Frequently Asked Questions

What is the IUPAC name of ethane;2-[1-(3-methylphenyl)cyclopropyl]acetic acid?
The IUPAC name of ethane;2-[1-(3-methylphenyl)cyclopropyl]acetic acid (CID 170751280) is ethane;2-[1-(3-methylphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for ethane;2-[1-(3-methylphenyl)cyclopropyl]acetic acid?
The canonical SMILES for ethane;2-[1-(3-methylphenyl)cyclopropyl]acetic acid is CC.Cc1cccc(C2(CC(=O)O)CC2)c1.
What is the InChIKey of ethane;2-[1-(3-methylphenyl)cyclopropyl]acetic acid?
The InChIKey is KYEIDDFQUALOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2.C2H6/c1-9-3-2-4-10(7-9)12(5-6-12)8-11(13)14;1-2/h2-4,7H,5-6,8H2,1H3,(H,13,14);1-2H3.
What are the key properties of ethane;2-[1-(3-methylphenyl)cyclopropyl]acetic acid?
ethane;2-[1-(3-methylphenyl)cyclopropyl]acetic acid has a molecular weight of 220.31 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[1-(3-methylphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 170751280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).