[3-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanol

C18H21BrO2 — CID 63533381

IUPAC[3-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanol
SMILESCC(C)(C)c1ccc(COc2c(Br)cccc2CO)cc1
InChIInChI=1S/C18H21BrO2/c1-18(2,3)15-9-7-13(8-10-15)12-21-17-14(11-20)5-4-6-16(17)19/h4-10,20H,11-12H2,1-3H3
InChIKeyYDLOVLZMCPQFOG-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.82
Rot. Bonds4

About [3-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanol

[3-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanol (PubChem CID 63533381) has the molecular formula C18H21BrO2 and a molecular weight of 349.27 g/mol. Its IUPAC name is [3-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanol
PubChem CID63533381
Molecular FormulaC18H21BrO2
Molecular Weight349.27 g/mol
Exact Mass348.07
IUPAC Name[3-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanol
SMILESCC(C)(C)c1ccc(COc2c(Br)cccc2CO)cc1
InChIInChI=1S/C18H21BrO2/c1-18(2,3)15-9-7-13(8-10-15)12-21-17-14(11-20)5-4-6-16(17)19/h4-10,20H,11-12H2,1-3H3
InChIKeyYDLOVLZMCPQFOG-UHFFFAOYSA-N
XLogP4.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-2-[(4-tert-butylphenyl)methoxy]-3-(chloromethyl)benzene
CID 63534527
[3-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 61391527
[3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol
CID 79706812
[2-[(4-tert-butylphenyl)methoxy]-3-methylphenyl]methanamine
CID 115951807
[3-bromo-2-(2-phenylethoxy)phenyl]methanol
CID 61391567
[3-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487516
(3-bromo-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 91799383
4-[[2-fluoro-6-(hydroxymethyl)phenoxy]methyl]phenol
CID 112613126
[3-bromo-2-[(2-nitrophenyl)methoxy]phenyl]methanol
CID 61391476
1-tert-butyl-9,10-bis[(4-tert-butylphenyl)methoxy]anthracene
CID 160518124
1-bromo-2-[(4-tert-butylphenyl)methyl]benzene
CID 171716628
N-[[3-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63500837

Frequently Asked Questions

What is the IUPAC name of [3-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanol?
The IUPAC name of [3-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanol (CID 63533381) is [3-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanol?
The canonical SMILES for [3-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanol is CC(C)(C)c1ccc(COc2c(Br)cccc2CO)cc1.
What is the InChIKey of [3-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanol?
The InChIKey is YDLOVLZMCPQFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrO2/c1-18(2,3)15-9-7-13(8-10-15)12-21-17-14(11-20)5-4-6-16(17)19/h4-10,20H,11-12H2,1-3H3.
What are the key properties of [3-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanol?
[3-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanol has a molecular weight of 349.27 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 63533381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).