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

C12H15BrO2 — CID 66023451

IUPAC[1-[(5-bromo-2-methoxyphenyl)methyl]cyclopropyl]methanol
SMILESCOc1ccc(Br)cc1CC1(CO)CC1
InChIInChI=1S/C12H15BrO2/c1-15-11-3-2-10(13)6-9(11)7-12(8-14)4-5-12/h2-3,6,14H,4-5,7-8H2,1H3
InChIKeyHQDZWIFPSRSEQJ-UHFFFAOYSA-N
MW271.15 g/mol
LogP2.77
Rot. Bonds4

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

[1-[(5-bromo-2-methoxyphenyl)methyl]cyclopropyl]methanol (PubChem CID 66023451) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is [1-[(5-bromo-2-methoxyphenyl)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(5-bromo-2-methoxyphenyl)methyl]cyclopropyl]methanol
PubChem CID66023451
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name[1-[(5-bromo-2-methoxyphenyl)methyl]cyclopropyl]methanol
SMILESCOc1ccc(Br)cc1CC1(CO)CC1
InChIInChI=1S/C12H15BrO2/c1-15-11-3-2-10(13)6-9(11)7-12(8-14)4-5-12/h2-3,6,14H,4-5,7-8H2,1H3
InChIKeyHQDZWIFPSRSEQJ-UHFFFAOYSA-N
XLogP2.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methanol
CID 66026762
1-[3-[(5-bromo-2-methoxyphenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 62718338
[1-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclopropyl]methanol
CID 116928883
3-[(5-bromo-2-methoxyphenyl)methyl]thiolan-3-ol
CID 79950148
4-[(5-bromo-2-methoxyphenyl)methyl]oxane-4-carboxylic acid
CID 62906299
[1-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol
CID 116874725
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-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine
CID 65424670
[3-[(2-methoxy-5-methylphenyl)methyl]oxolan-3-yl]methanol
CID 66059005
3-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoropyrrolidine
CID 112564422
3-[(5-bromo-2-methoxyphenyl)methyl]oxane-3-carboxylic acid
CID 63014707

Frequently Asked Questions

What is the IUPAC name of [1-[(5-bromo-2-methoxyphenyl)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(5-bromo-2-methoxyphenyl)methyl]cyclopropyl]methanol (CID 66023451) is [1-[(5-bromo-2-methoxyphenyl)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(5-bromo-2-methoxyphenyl)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(5-bromo-2-methoxyphenyl)methyl]cyclopropyl]methanol is COc1ccc(Br)cc1CC1(CO)CC1.
What is the InChIKey of [1-[(5-bromo-2-methoxyphenyl)methyl]cyclopropyl]methanol?
The InChIKey is HQDZWIFPSRSEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-15-11-3-2-10(13)6-9(11)7-12(8-14)4-5-12/h2-3,6,14H,4-5,7-8H2,1H3.
What are the key properties of [1-[(5-bromo-2-methoxyphenyl)methyl]cyclopropyl]methanol?
[1-[(5-bromo-2-methoxyphenyl)methyl]cyclopropyl]methanol has a molecular weight of 271.15 g/mol, XLogP of 2.77, 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]cyclopropyl]methanol is sourced from PubChem (CID 66023451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).