1-[(4-bromo-3-phenylmethoxyphenyl)methyl]cyclobutane-1-carboxylic acid

C19H19BrO3 — CID 135313696

IUPAC1-[(4-bromo-3-phenylmethoxyphenyl)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(Cc2ccc(Br)c(OCc3ccccc3)c2)CCC1
InChIInChI=1S/C19H19BrO3/c20-16-8-7-15(12-19(18(21)22)9-4-10-19)11-17(16)23-13-14-5-2-1-3-6-14/h1-3,5-8,11H,4,9-10,12-13H2,(H,21,22)
InChIKeyGDVLRDXWLYKNSZ-UHFFFAOYSA-N
MW375.26 g/mol
LogP4.83
Rot. Bonds6

About 1-[(4-bromo-3-phenylmethoxyphenyl)methyl]cyclobutane-1-carboxylic acid

1-[(4-bromo-3-phenylmethoxyphenyl)methyl]cyclobutane-1-carboxylic acid (PubChem CID 135313696) has the molecular formula C19H19BrO3 and a molecular weight of 375.26 g/mol. Its IUPAC name is 1-[(4-bromo-3-phenylmethoxyphenyl)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-bromo-3-phenylmethoxyphenyl)methyl]cyclobutane-1-carboxylic acid
PubChem CID135313696
Molecular FormulaC19H19BrO3
Molecular Weight375.26 g/mol
Exact Mass374.05
IUPAC Name1-[(4-bromo-3-phenylmethoxyphenyl)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(Cc2ccc(Br)c(OCc3ccccc3)c2)CCC1
InChIInChI=1S/C19H19BrO3/c20-16-8-7-15(12-19(18(21)22)9-4-10-19)11-17(16)23-13-14-5-2-1-3-6-14/h1-3,5-8,11H,4,9-10,12-13H2,(H,21,22)
InChIKeyGDVLRDXWLYKNSZ-UHFFFAOYSA-N
XLogP4.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]cyclobutane-1-carboxylic acid
CID 79424763
1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid
CID 65194237
4-bromo-3-phenylmethoxy-N-propan-2-ylbenzamide
CID 146673288
1-benzylcyclopropane-1-carboxylic acid
CID 562561
N-(1-bicyclo[1.1.1]pentanyl)-4-bromo-3-phenylmethoxybenzamide
CID 166001387
1-bromo-4-iodo-2-phenylmethoxybenzene
CID 11516618
1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopentane-1-carboxylic acid
CID 82300658
6-bromo-1,1,4,4-tetramethyl-7-phenylmethoxy-2,3-dihydronaphthalene
CID 22345420
4-(4-bromo-3-phenylmethoxyphenyl)benzaldehyde
CID 170459869
1-[(2-bromophenoxy)methyl]cyclopropane-1-carboxylic acid
CID 84712843
5-bromo-2,4-bis(phenylmethoxy)benzoyl chloride
CID 77174849
1-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid
CID 82090827

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-3-phenylmethoxyphenyl)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(4-bromo-3-phenylmethoxyphenyl)methyl]cyclobutane-1-carboxylic acid (CID 135313696) is 1-[(4-bromo-3-phenylmethoxyphenyl)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-bromo-3-phenylmethoxyphenyl)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(4-bromo-3-phenylmethoxyphenyl)methyl]cyclobutane-1-carboxylic acid is O=C(O)C1(Cc2ccc(Br)c(OCc3ccccc3)c2)CCC1.
What is the InChIKey of 1-[(4-bromo-3-phenylmethoxyphenyl)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is GDVLRDXWLYKNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrO3/c20-16-8-7-15(12-19(18(21)22)9-4-10-19)11-17(16)23-13-14-5-2-1-3-6-14/h1-3,5-8,11H,4,9-10,12-13H2,(H,21,22).
What are the key properties of 1-[(4-bromo-3-phenylmethoxyphenyl)methyl]cyclobutane-1-carboxylic acid?
1-[(4-bromo-3-phenylmethoxyphenyl)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 375.26 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-3-phenylmethoxyphenyl)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 135313696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).