(3-bromo-4-methylphenyl)-(4-ethoxyphenyl)methanol

C16H17BrO2 — CID 81476153

IUPAC(3-bromo-4-methylphenyl)-(4-ethoxyphenyl)methanol
SMILESCCOc1ccc(C(O)c2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C16H17BrO2/c1-3-19-14-8-6-12(7-9-14)16(18)13-5-4-11(2)15(17)10-13/h4-10,16,18H,3H2,1-2H3
InChIKeyBPEUUIUZZCTFRI-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.24
Rot. Bonds4

About (3-bromo-4-methylphenyl)-(4-ethoxyphenyl)methanol

(3-bromo-4-methylphenyl)-(4-ethoxyphenyl)methanol (PubChem CID 81476153) has the molecular formula C16H17BrO2 and a molecular weight of 321.21 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-(4-ethoxyphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-(4-ethoxyphenyl)methanol
PubChem CID81476153
Molecular FormulaC16H17BrO2
Molecular Weight321.21 g/mol
Exact Mass320.04
IUPAC Name(3-bromo-4-methylphenyl)-(4-ethoxyphenyl)methanol
SMILESCCOc1ccc(C(O)c2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C16H17BrO2/c1-3-19-14-8-6-12(7-9-14)16(18)13-5-4-11(2)15(17)10-13/h4-10,16,18H,3H2,1-2H3
InChIKeyBPEUUIUZZCTFRI-UHFFFAOYSA-N
XLogP4.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromophenyl)-(4-ethoxyphenyl)methanol
CID 46205463
(3,4-dichlorophenyl)-(4-ethoxyphenyl)methanol
CID 55133392
(4-ethoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 61088282
(3-bromo-4-methylphenyl)-(4-butylphenyl)methanol
CID 81476235
(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 104661023
(3-bromo-4-ethoxyphenyl)-(4-ethylphenyl)methanol
CID 67459476
(3-bromo-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83067897
(3-bromo-4-methylphenyl)-(3-methylphenyl)methanol
CID 114978122
(2,3-dimethylphenyl)-(4-ethoxyphenyl)methanol
CID 61100219
(4-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanol
CID 61101078
(3-chloro-4-methylphenyl)-(4-propoxyphenyl)methanol
CID 115795362
(4-cyclopropyloxyphenyl)-(4-ethoxyphenyl)methanol
CID 114518502

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-(4-ethoxyphenyl)methanol?
The IUPAC name of (3-bromo-4-methylphenyl)-(4-ethoxyphenyl)methanol (CID 81476153) is (3-bromo-4-methylphenyl)-(4-ethoxyphenyl)methanol.
What is the SMILES notation for (3-bromo-4-methylphenyl)-(4-ethoxyphenyl)methanol?
The canonical SMILES for (3-bromo-4-methylphenyl)-(4-ethoxyphenyl)methanol is CCOc1ccc(C(O)c2ccc(C)c(Br)c2)cc1.
What is the InChIKey of (3-bromo-4-methylphenyl)-(4-ethoxyphenyl)methanol?
The InChIKey is BPEUUIUZZCTFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO2/c1-3-19-14-8-6-12(7-9-14)16(18)13-5-4-11(2)15(17)10-13/h4-10,16,18H,3H2,1-2H3.
What are the key properties of (3-bromo-4-methylphenyl)-(4-ethoxyphenyl)methanol?
(3-bromo-4-methylphenyl)-(4-ethoxyphenyl)methanol has a molecular weight of 321.21 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylphenyl)-(4-ethoxyphenyl)methanol is sourced from PubChem (CID 81476153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).