1-[(2-methoxy-5-methylphenyl)methyl]cyclooctane-1-carboxylic acid

C18H26O3 — CID 80609485

IUPAC1-[(2-methoxy-5-methylphenyl)methyl]cyclooctane-1-carboxylic acid
SMILESCOc1ccc(C)cc1CC1(C(=O)O)CCCCCCC1
InChIInChI=1S/C18H26O3/c1-14-8-9-16(21-2)15(12-14)13-18(17(19)20)10-6-4-3-5-7-11-18/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,19,20)
InChIKeyLGWYKUIOVOTWOK-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.36
Rot. Bonds4

About 1-[(2-methoxy-5-methylphenyl)methyl]cyclooctane-1-carboxylic acid

1-[(2-methoxy-5-methylphenyl)methyl]cyclooctane-1-carboxylic acid (PubChem CID 80609485) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 1-[(2-methoxy-5-methylphenyl)methyl]cyclooctane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxy-5-methylphenyl)methyl]cyclooctane-1-carboxylic acid
PubChem CID80609485
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name1-[(2-methoxy-5-methylphenyl)methyl]cyclooctane-1-carboxylic acid
SMILESCOc1ccc(C)cc1CC1(C(=O)O)CCCCCCC1
InChIInChI=1S/C18H26O3/c1-14-8-9-16(21-2)15(12-14)13-18(17(19)20)10-6-4-3-5-7-11-18/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,19,20)
InChIKeyLGWYKUIOVOTWOK-UHFFFAOYSA-N
XLogP4.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
CID 55042036
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CID 62161336
1-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid
CID 82090827
1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutane-1-carboxylic acid
CID 116929511
1-[(3,4-dimethoxyphenyl)methyl]cyclobutane-1-carboxylic acid
CID 79424763
1-[(2,4,5-trimethylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 82295399
2-[(2-methoxy-5-methylphenyl)methyl]-2-methylazepane
CID 79117786
3-[(2,5-dimethoxyphenyl)methyl]oxetane-3-carboxylic acid
CID 116930077
4-[(5-bromo-2-methoxyphenyl)methyl]oxane-4-carboxylic acid
CID 62906299
1-(2-methoxy-5-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 116575518
2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid
CID 82090822
[3-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]methanol
CID 66060007

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]cyclooctane-1-carboxylic acid?
The IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]cyclooctane-1-carboxylic acid (CID 80609485) is 1-[(2-methoxy-5-methylphenyl)methyl]cyclooctane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxy-5-methylphenyl)methyl]cyclooctane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methoxy-5-methylphenyl)methyl]cyclooctane-1-carboxylic acid is COc1ccc(C)cc1CC1(C(=O)O)CCCCCCC1.
What is the InChIKey of 1-[(2-methoxy-5-methylphenyl)methyl]cyclooctane-1-carboxylic acid?
The InChIKey is LGWYKUIOVOTWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-14-8-9-16(21-2)15(12-14)13-18(17(19)20)10-6-4-3-5-7-11-18/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,19,20).
What are the key properties of 1-[(2-methoxy-5-methylphenyl)methyl]cyclooctane-1-carboxylic acid?
1-[(2-methoxy-5-methylphenyl)methyl]cyclooctane-1-carboxylic acid has a molecular weight of 290.40 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-5-methylphenyl)methyl]cyclooctane-1-carboxylic acid is sourced from PubChem (CID 80609485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).