(3-bromo-4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanol

C14H19BrO3 — CID 113438363

IUPAC(3-bromo-4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanol
SMILESCCOc1ccc(C(O)C2CCC(C)O2)cc1Br
InChIInChI=1S/C14H19BrO3/c1-3-17-12-7-5-10(8-11(12)15)14(16)13-6-4-9(2)18-13/h5,7-9,13-14,16H,3-4,6H2,1-2H3
InChIKeySSAGJMWHJCBSCU-UHFFFAOYSA-N
MW315.21 g/mol
LogP3.45
Rot. Bonds4

About (3-bromo-4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanol

(3-bromo-4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanol (PubChem CID 113438363) has the molecular formula C14H19BrO3 and a molecular weight of 315.21 g/mol. Its IUPAC name is (3-bromo-4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanol.

Molecular Properties

Compound Name(3-bromo-4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanol
PubChem CID113438363
Molecular FormulaC14H19BrO3
Molecular Weight315.21 g/mol
Exact Mass314.05
IUPAC Name(3-bromo-4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanol
SMILESCCOc1ccc(C(O)C2CCC(C)O2)cc1Br
InChIInChI=1S/C14H19BrO3/c1-3-17-12-7-5-10(8-11(12)15)14(16)13-6-4-9(2)18-13/h5,7-9,13-14,16H,3-4,6H2,1-2H3
InChIKeySSAGJMWHJCBSCU-UHFFFAOYSA-N
XLogP3.45
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-methoxyphenyl)-(5-methyloxolan-2-yl)methanol
CID 81330381
(3-bromo-4-ethoxyphenyl)-(3-methyloxolan-2-yl)methanol
CID 104661160
6-bicyclo[3.1.0]hexanyl-(3-bromo-4-ethoxyphenyl)methanol
CID 104661081
(4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanol
CID 82838251
(3-ethylphenyl)-(5-methyloxolan-2-yl)methanol
CID 82837003
(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 104661023
(5-methyloxolan-2-yl)-(4-phosphanylphenyl)methanol
CID 145143506
2-[bromo-(2-chloro-4,5-diethoxyphenyl)methyl]-5-methyloxolane
CID 81329757
1-(3-bromo-4-ethoxyphenyl)pentan-1-ol
CID 104661010
(3-bromo-4-ethoxyphenyl)-(4-ethylphenyl)methanol
CID 67459476
2-bromo-4-(1-bromoethyl)-1-ethoxybenzene
CID 104661738
(5-methyloxolan-2-yl)-phenylmethanol
CID 13239151

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanol?
The IUPAC name of (3-bromo-4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanol (CID 113438363) is (3-bromo-4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanol.
What is the SMILES notation for (3-bromo-4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanol?
The canonical SMILES for (3-bromo-4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanol is CCOc1ccc(C(O)C2CCC(C)O2)cc1Br.
What is the InChIKey of (3-bromo-4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanol?
The InChIKey is SSAGJMWHJCBSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO3/c1-3-17-12-7-5-10(8-11(12)15)14(16)13-6-4-9(2)18-13/h5,7-9,13-14,16H,3-4,6H2,1-2H3.
What are the key properties of (3-bromo-4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanol?
(3-bromo-4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanol has a molecular weight of 315.21 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanol is sourced from PubChem (CID 113438363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).