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

C14H19BrO3 — CID 104661160

IUPAC(3-bromo-4-ethoxyphenyl)-(3-methyloxolan-2-yl)methanol
SMILESCCOc1ccc(C(O)C2OCCC2C)cc1Br
InChIInChI=1S/C14H19BrO3/c1-3-17-12-5-4-10(8-11(12)15)13(16)14-9(2)6-7-18-14/h4-5,8-9,13-14,16H,3,6-7H2,1-2H3
InChIKeyYRGHLHVZISWGTE-UHFFFAOYSA-N
MW315.21 g/mol
LogP3.31
Rot. Bonds4

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

(3-bromo-4-ethoxyphenyl)-(3-methyloxolan-2-yl)methanol (PubChem CID 104661160) has the molecular formula C14H19BrO3 and a molecular weight of 315.21 g/mol. Its IUPAC name is (3-bromo-4-ethoxyphenyl)-(3-methyloxolan-2-yl)methanol.

Molecular Properties

Compound Name(3-bromo-4-ethoxyphenyl)-(3-methyloxolan-2-yl)methanol
PubChem CID104661160
Molecular FormulaC14H19BrO3
Molecular Weight315.21 g/mol
Exact Mass314.05
IUPAC Name(3-bromo-4-ethoxyphenyl)-(3-methyloxolan-2-yl)methanol
SMILESCCOc1ccc(C(O)C2OCCC2C)cc1Br
InChIInChI=1S/C14H19BrO3/c1-3-17-12-5-4-10(8-11(12)15)13(16)14-9(2)6-7-18-14/h4-5,8-9,13-14,16H,3,6-7H2,1-2H3
InChIKeyYRGHLHVZISWGTE-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanol
CID 113438363
6-bicyclo[3.1.0]hexanyl-(3-bromo-4-ethoxyphenyl)methanol
CID 104661081
2-bromo-4-[chloro-(2-methylcyclopentyl)methyl]-1-ethoxybenzene
CID 107182624
(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 104661023
(3-methyloxolan-2-yl)-(6-methyl-3-pyridinyl)methanol
CID 115796862
1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(oxan-2-yl)methanamine
CID 104657440
(3-bromo-4-ethoxyphenyl)-(4-ethylphenyl)methanol
CID 67459476
1-(3-bromo-4-ethoxyphenyl)pentan-1-ol
CID 104661010
2-bromo-4-(1-bromoethyl)-1-ethoxybenzene
CID 104661738
(3,4-diethoxyphenyl)-(oxan-4-yl)methanol
CID 62905165
[bromo-(3-bromo-4-ethoxyphenyl)methyl]cyclooctane
CID 104661662
(5-bromo-2-fluorophenyl)-(3-methyloxolan-2-yl)methanol
CID 115820768

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-ethoxyphenyl)-(3-methyloxolan-2-yl)methanol?
The IUPAC name of (3-bromo-4-ethoxyphenyl)-(3-methyloxolan-2-yl)methanol (CID 104661160) is (3-bromo-4-ethoxyphenyl)-(3-methyloxolan-2-yl)methanol.
What is the SMILES notation for (3-bromo-4-ethoxyphenyl)-(3-methyloxolan-2-yl)methanol?
The canonical SMILES for (3-bromo-4-ethoxyphenyl)-(3-methyloxolan-2-yl)methanol is CCOc1ccc(C(O)C2OCCC2C)cc1Br.
What is the InChIKey of (3-bromo-4-ethoxyphenyl)-(3-methyloxolan-2-yl)methanol?
The InChIKey is YRGHLHVZISWGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO3/c1-3-17-12-5-4-10(8-11(12)15)13(16)14-9(2)6-7-18-14/h4-5,8-9,13-14,16H,3,6-7H2,1-2H3.
What are the key properties of (3-bromo-4-ethoxyphenyl)-(3-methyloxolan-2-yl)methanol?
(3-bromo-4-ethoxyphenyl)-(3-methyloxolan-2-yl)methanol has a molecular weight of 315.21 g/mol, XLogP of 3.31, 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)-(3-methyloxolan-2-yl)methanol is sourced from PubChem (CID 104661160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).