ethane;1-(3-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid

C13H18O4 — CID 143872791

IUPACethane;1-(3-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCC.COc1ccc(C2(C(=O)O)CC2)cc1O
InChIInChI=1S/C11H12O4.C2H6/c1-15-9-3-2-7(6-8(9)12)11(4-5-11)10(13)14;1-2/h2-3,6,12H,4-5H2,1H3,(H,13,14);1-2H3
InChIKeyNRFJBSKNRQMTDO-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.54
Rot. Bonds3

About ethane;1-(3-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid

ethane;1-(3-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 143872791) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is ethane;1-(3-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nameethane;1-(3-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID143872791
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Nameethane;1-(3-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCC.COc1ccc(C2(C(=O)O)CC2)cc1O
InChIInChI=1S/C11H12O4.C2H6/c1-15-9-3-2-7(6-8(9)12)11(4-5-11)10(13)14;1-2/h2-3,6,12H,4-5H2,1H3,(H,13,14);1-2H3
InChIKeyNRFJBSKNRQMTDO-UHFFFAOYSA-N
XLogP2.54
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 16770133
1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117498388
1-(5-hydroxy-2,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117348579
1-(4-methoxy-3-methylsulfanylphenyl)cyclobutane-1-carboxylic acid
CID 117384290
1-[4-methoxy-3-(thietan-3-yloxy)phenyl]cyclopropane-1-carboxylic acid
CID 117450144
1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 16769454
1-(3-hydroxy-4,5-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117383430
1-[4-(2,5-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 82039519
1-(4-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117410191
1-[3-[(dimethylamino)methyl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117412824
1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid
CID 117490723
1-(2-fluoro-4-hydroxy-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117324881

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of ethane;1-(3-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid (CID 143872791) is ethane;1-(3-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for ethane;1-(3-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for ethane;1-(3-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid is CC.COc1ccc(C2(C(=O)O)CC2)cc1O.
What is the InChIKey of ethane;1-(3-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is NRFJBSKNRQMTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4.C2H6/c1-15-9-3-2-7(6-8(9)12)11(4-5-11)10(13)14;1-2/h2-3,6,12H,4-5H2,1H3,(H,13,14);1-2H3.
What are the key properties of ethane;1-(3-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid?
ethane;1-(3-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 238.28 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 143872791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).