2-(3-methoxyphenyl)spiro[3.3]heptane-2-carboxylic acid

C15H18O3 — CID 65009647

IUPAC2-(3-methoxyphenyl)spiro[3.3]heptane-2-carboxylic acid
SMILESCOc1cccc(C2(C(=O)O)CC3(CCC3)C2)c1
InChIInChI=1S/C15H18O3/c1-18-12-5-2-4-11(8-12)15(13(16)17)9-14(10-15)6-3-7-14/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,16,17)
InChIKeyQEBQJUGDQDXGSJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.98
Rot. Bonds3

About 2-(3-methoxyphenyl)spiro[3.3]heptane-2-carboxylic acid

2-(3-methoxyphenyl)spiro[3.3]heptane-2-carboxylic acid (PubChem CID 65009647) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)spiro[3.3]heptane-2-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxyphenyl)spiro[3.3]heptane-2-carboxylic acid
PubChem CID65009647
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name2-(3-methoxyphenyl)spiro[3.3]heptane-2-carboxylic acid
SMILESCOc1cccc(C2(C(=O)O)CC3(CCC3)C2)c1
InChIInChI=1S/C15H18O3/c1-18-12-5-2-4-11(8-12)15(13(16)17)9-14(10-15)6-3-7-14/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,16,17)
InChIKeyQEBQJUGDQDXGSJ-UHFFFAOYSA-N
XLogP2.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid
CID 65353654
2-(3-methoxy-4-methylphenyl)spiro[3.3]heptane-2-carboxylic acid
CID 65009437
2-(3-methoxyphenyl)spiro[3.3]heptan-2-amine
CID 65009223
2-(3-fluorophenyl)spiro[3.5]nonane-2-carboxylic acid
CID 65006564
1-(3-methoxyphenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 65016675
N-[2-(3-methoxyphenyl)spiro[3.3]heptan-2-yl]prop-2-enamide
CID 166428308
5-(3-fluorophenyl)spiro[2.3]hexane-5-carboxylic acid
CID 65008380
1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde
CID 83684685
1-[3-(4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 83556280
2-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]propanoic acid
CID 119225858
2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid
CID 82077265
N-(3-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 1455676

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)spiro[3.3]heptane-2-carboxylic acid?
The IUPAC name of 2-(3-methoxyphenyl)spiro[3.3]heptane-2-carboxylic acid (CID 65009647) is 2-(3-methoxyphenyl)spiro[3.3]heptane-2-carboxylic acid.
What is the SMILES notation for 2-(3-methoxyphenyl)spiro[3.3]heptane-2-carboxylic acid?
The canonical SMILES for 2-(3-methoxyphenyl)spiro[3.3]heptane-2-carboxylic acid is COc1cccc(C2(C(=O)O)CC3(CCC3)C2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)spiro[3.3]heptane-2-carboxylic acid?
The InChIKey is QEBQJUGDQDXGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-18-12-5-2-4-11(8-12)15(13(16)17)9-14(10-15)6-3-7-14/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,16,17).
What are the key properties of 2-(3-methoxyphenyl)spiro[3.3]heptane-2-carboxylic acid?
2-(3-methoxyphenyl)spiro[3.3]heptane-2-carboxylic acid has a molecular weight of 246.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)spiro[3.3]heptane-2-carboxylic acid is sourced from PubChem (CID 65009647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).