1-(2-cyclopropyloxy-3-methoxyphenyl)cyclohexane-1-carboxylic acid

C17H22O4 — CID 117469164

IUPAC1-(2-cyclopropyloxy-3-methoxyphenyl)cyclohexane-1-carboxylic acid
SMILESCOc1cccc(C2(C(=O)O)CCCCC2)c1OC1CC1
InChIInChI=1S/C17H22O4/c1-20-14-7-5-6-13(15(14)21-12-8-9-12)17(16(18)19)10-3-2-4-11-17/h5-7,12H,2-4,8-11H2,1H3,(H,18,19)
InChIKeyVPAXTRFDDXGXSQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.52
Rot. Bonds5

About 1-(2-cyclopropyloxy-3-methoxyphenyl)cyclohexane-1-carboxylic acid

1-(2-cyclopropyloxy-3-methoxyphenyl)cyclohexane-1-carboxylic acid (PubChem CID 117469164) has the molecular formula C17H22O4 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(2-cyclopropyloxy-3-methoxyphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopropyloxy-3-methoxyphenyl)cyclohexane-1-carboxylic acid
PubChem CID117469164
Molecular FormulaC17H22O4
Molecular Weight290.36 g/mol
Exact Mass290.15
IUPAC Name1-(2-cyclopropyloxy-3-methoxyphenyl)cyclohexane-1-carboxylic acid
SMILESCOc1cccc(C2(C(=O)O)CCCCC2)c1OC1CC1
InChIInChI=1S/C17H22O4/c1-20-14-7-5-6-13(15(14)21-12-8-9-12)17(16(18)19)10-3-2-4-11-17/h5-7,12H,2-4,8-11H2,1H3,(H,18,19)
InChIKeyVPAXTRFDDXGXSQ-UHFFFAOYSA-N
XLogP3.52
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117410189
1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclopentane-1-carboxylic acid
CID 117493403
1-[3-methoxy-2-(oxan-4-yloxy)phenyl]cyclopropane-1-carboxylic acid
CID 117472035
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
1-(2-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117344782
1-[2-methoxy-3-(thian-4-yloxy)phenyl]cyclopropane-1-carboxylic acid
CID 117493421
1-(2-cyclopropyloxyphenyl)cyclobutane-1-carboxylic acid
CID 117336203
1-(2-cyclobutyloxyphenyl)cyclopentane-1-carboxylic acid
CID 117405012
[1-(2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
CID 117407993
1-(1-hydroxy-5-methoxynaphthalen-2-yl)cyclobutane-1-carboxylic acid
CID 117433459
1-[2-(difluoromethyl)-3-methoxyphenyl]cyclohexane-1-carboxylic acid
CID 117457679
1-(2-hydroxy-3,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117383426

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyloxy-3-methoxyphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-cyclopropyloxy-3-methoxyphenyl)cyclohexane-1-carboxylic acid (CID 117469164) is 1-(2-cyclopropyloxy-3-methoxyphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopropyloxy-3-methoxyphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-cyclopropyloxy-3-methoxyphenyl)cyclohexane-1-carboxylic acid is COc1cccc(C2(C(=O)O)CCCCC2)c1OC1CC1.
What is the InChIKey of 1-(2-cyclopropyloxy-3-methoxyphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is VPAXTRFDDXGXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O4/c1-20-14-7-5-6-13(15(14)21-12-8-9-12)17(16(18)19)10-3-2-4-11-17/h5-7,12H,2-4,8-11H2,1H3,(H,18,19).
What are the key properties of 1-(2-cyclopropyloxy-3-methoxyphenyl)cyclohexane-1-carboxylic acid?
1-(2-cyclopropyloxy-3-methoxyphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyloxy-3-methoxyphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117469164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).