[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methanol

C13H17BrO2 — CID 66026762

IUPAC[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methanol
SMILESCOc1ccc(Br)cc1CC1(CO)CCC1
InChIInChI=1S/C13H17BrO2/c1-16-12-4-3-11(14)7-10(12)8-13(9-15)5-2-6-13/h3-4,7,15H,2,5-6,8-9H2,1H3
InChIKeyNKLRGRMQKKSRNV-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.16
Rot. Bonds4

About [1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methanol

[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methanol (PubChem CID 66026762) has the molecular formula C13H17BrO2 and a molecular weight of 285.18 g/mol. Its IUPAC name is [1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methanol
PubChem CID66026762
Molecular FormulaC13H17BrO2
Molecular Weight285.18 g/mol
Exact Mass284.04
IUPAC Name[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methanol
SMILESCOc1ccc(Br)cc1CC1(CO)CCC1
InChIInChI=1S/C13H17BrO2/c1-16-12-4-3-11(14)7-10(12)8-13(9-15)5-2-6-13/h3-4,7,15H,2,5-6,8-9H2,1H3
InChIKeyNKLRGRMQKKSRNV-UHFFFAOYSA-N
XLogP3.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(5-bromo-2-methoxyphenyl)methyl]cyclopropyl]methanol
CID 66023451
N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 65194895
N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 63509042
1-[3-[(5-bromo-2-methoxyphenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 62718338
3-[(5-bromo-2-methoxyphenyl)methyl]thiolan-3-ol
CID 79950148
4-[(5-bromo-2-methoxyphenyl)methyl]oxane-4-carboxylic acid
CID 62906299
3-[(5-bromo-2-methoxyphenyl)methyl]oxane-3-carboxylic acid
CID 63014707
[3-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]methanol
CID 66060007
[1-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine
CID 65424670
1-[(5-bromo-2-methoxyphenyl)methyl]azetidine
CID 130159732
[1-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclopropyl]methanol
CID 116928883
[1-[(3,4,5-trimethoxyphenyl)methyl]cyclobutyl]methanol
CID 116929645

Frequently Asked Questions

What is the IUPAC name of [1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methanol (CID 66026762) is [1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methanol is COc1ccc(Br)cc1CC1(CO)CCC1.
What is the InChIKey of [1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methanol?
The InChIKey is NKLRGRMQKKSRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO2/c1-16-12-4-3-11(14)7-10(12)8-13(9-15)5-2-6-13/h3-4,7,15H,2,5-6,8-9H2,1H3.
What are the key properties of [1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methanol?
[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methanol has a molecular weight of 285.18 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methanol is sourced from PubChem (CID 66026762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).