1-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclopentan-1-ol

C15H21BrO2 — CID 64514304

IUPAC1-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclopentan-1-ol
SMILESCCC1CCC(O)(Cc2ccc(OC)c(Br)c2)C1
InChIInChI=1S/C15H21BrO2/c1-3-11-6-7-15(17,9-11)10-12-4-5-14(18-2)13(16)8-12/h4-5,8,11,17H,3,6-7,9-10H2,1-2H3
InChIKeyXLTFBWWGLLVEGS-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.94
Rot. Bonds4

About 1-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclopentan-1-ol

1-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclopentan-1-ol (PubChem CID 64514304) has the molecular formula C15H21BrO2 and a molecular weight of 313.24 g/mol. Its IUPAC name is 1-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclopentan-1-ol
PubChem CID64514304
Molecular FormulaC15H21BrO2
Molecular Weight313.24 g/mol
Exact Mass312.07
IUPAC Name1-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclopentan-1-ol
SMILESCCC1CCC(O)(Cc2ccc(OC)c(Br)c2)C1
InChIInChI=1S/C15H21BrO2/c1-3-11-6-7-15(17,9-11)10-12-4-5-14(18-2)13(16)8-12/h4-5,8,11,17H,3,6-7,9-10H2,1-2H3
InChIKeyXLTFBWWGLLVEGS-UHFFFAOYSA-N
XLogP3.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 65149488
[1-[(3-bromo-4-methoxyphenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 65395564
1-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclohexane-1-carboxylic acid
CID 65403118
1-[(3-bromo-4-methoxyphenyl)methyl]-4-ethylcyclohexane-1-carbonitrile
CID 65394935
1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-dimethylcyclohexan-1-ol
CID 64735356
1-[(3-bromo-4-methoxyphenyl)methyl]-3,3,5-trimethylcyclohexan-1-ol
CID 63409095
1-[(3-chloro-4-fluorophenyl)methyl]-3-ethylcyclopentan-1-ol
CID 103039036
3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-ol
CID 113453697
4-[(3-bromo-4-methoxyphenyl)methyl]-1-methylazepan-4-ol
CID 65074970
1-[(3-bromo-4-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol
CID 65086137
3-ethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclopentan-1-ol
CID 65154318
1-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylcyclohexan-1-ol
CID 65154167

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclopentan-1-ol?
The IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclopentan-1-ol (CID 64514304) is 1-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclopentan-1-ol.
What is the SMILES notation for 1-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclopentan-1-ol?
The canonical SMILES for 1-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclopentan-1-ol is CCC1CCC(O)(Cc2ccc(OC)c(Br)c2)C1.
What is the InChIKey of 1-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclopentan-1-ol?
The InChIKey is XLTFBWWGLLVEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO2/c1-3-11-6-7-15(17,9-11)10-12-4-5-14(18-2)13(16)8-12/h4-5,8,11,17H,3,6-7,9-10H2,1-2H3.
What are the key properties of 1-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclopentan-1-ol?
1-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclopentan-1-ol has a molecular weight of 313.24 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclopentan-1-ol is sourced from PubChem (CID 64514304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).