[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]methanol

C14H19BrO3 — CID 65459217

IUPAC[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]methanol
SMILESCCOc1cc(CO)cc(Br)c1OCC1CCC1
InChIInChI=1S/C14H19BrO3/c1-2-17-13-7-11(8-16)6-12(15)14(13)18-9-10-4-3-5-10/h6-7,10,16H,2-5,8-9H2,1H3
InChIKeyJOJVSRVLJJSIPR-UHFFFAOYSA-N
MW315.21 g/mol
LogP3.52
Rot. Bonds6

About [3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]methanol

[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]methanol (PubChem CID 65459217) has the molecular formula C14H19BrO3 and a molecular weight of 315.21 g/mol. Its IUPAC name is [3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]methanol.

Molecular Properties

Compound Name[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]methanol
PubChem CID65459217
Molecular FormulaC14H19BrO3
Molecular Weight315.21 g/mol
Exact Mass314.05
IUPAC Name[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]methanol
SMILESCCOc1cc(CO)cc(Br)c1OCC1CCC1
InChIInChI=1S/C14H19BrO3/c1-2-17-13-7-11(8-16)6-12(15)14(13)18-9-10-4-3-5-10/h6-7,10,16H,2-5,8-9H2,1H3
InChIKeyJOJVSRVLJJSIPR-UHFFFAOYSA-N
XLogP3.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-5-(bromomethyl)-2-(cyclobutylmethoxy)-3-ethoxybenzene
CID 65459224
[3,5-dibromo-4-(cyclobutylmethoxy)phenyl]methanol
CID 107738957
1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]-N-methylmethanamine
CID 65457314
1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]butan-2-amine
CID 65459083
[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]methanol
CID 65458991
(3-bromo-4-butoxy-5-ethoxyphenyl)methanol
CID 43627133
N-[[3-bromo-4-(cyclopropylmethoxy)-5-ethoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63062834
[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methanol
CID 65457601
1-bromo-5-(bromomethyl)-2-(cyclopentylmethoxy)-3-methoxybenzene
CID 63535191
1-bromo-5-(chloromethyl)-2-(cyclohexylmethoxy)-3-methoxybenzene
CID 43622731
[4-(cyclohexylmethoxy)-3,5-dimethoxyphenyl]methanol
CID 15752535
[3-bromo-5-ethoxy-4-(3-methylbut-3-enoxy)phenyl]methanol
CID 114472815

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]methanol?
The IUPAC name of [3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]methanol (CID 65459217) is [3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]methanol.
What is the SMILES notation for [3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]methanol?
The canonical SMILES for [3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]methanol is CCOc1cc(CO)cc(Br)c1OCC1CCC1.
What is the InChIKey of [3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]methanol?
The InChIKey is JOJVSRVLJJSIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO3/c1-2-17-13-7-11(8-16)6-12(15)14(13)18-9-10-4-3-5-10/h6-7,10,16H,2-5,8-9H2,1H3.
What are the key properties of [3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]methanol?
[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]methanol has a molecular weight of 315.21 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]methanol is sourced from PubChem (CID 65459217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).