[4-(2-bromo-4,6-dimethylphenoxy)phenyl]methanol

C15H15BrO2 — CID 171129666

IUPAC[4-(2-bromo-4,6-dimethylphenoxy)phenyl]methanol
SMILESCc1cc(C)c(Oc2ccc(CO)cc2)c(Br)c1
InChIInChI=1S/C15H15BrO2/c1-10-7-11(2)15(14(16)8-10)18-13-5-3-12(9-17)4-6-13/h3-8,17H,9H2,1-2H3
InChIKeyFUMQVUYXSTVECV-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.35
Rot. Bonds3

About [4-(2-bromo-4,6-dimethylphenoxy)phenyl]methanol

[4-(2-bromo-4,6-dimethylphenoxy)phenyl]methanol (PubChem CID 171129666) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is [4-(2-bromo-4,6-dimethylphenoxy)phenyl]methanol.

Molecular Properties

Compound Name[4-(2-bromo-4,6-dimethylphenoxy)phenyl]methanol
PubChem CID171129666
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name[4-(2-bromo-4,6-dimethylphenoxy)phenyl]methanol
SMILESCc1cc(C)c(Oc2ccc(CO)cc2)c(Br)c1
InChIInChI=1S/C15H15BrO2/c1-10-7-11(2)15(14(16)8-10)18-13-5-3-12(9-17)4-6-13/h3-8,17H,9H2,1-2H3
InChIKeyFUMQVUYXSTVECV-UHFFFAOYSA-N
XLogP4.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-Dimethylchromen-6-yl)methanol
CID 14558470
(3-Bromo-4-methoxyphenyl)methanol
CID 13551346
1-Bromo-2-{2-[2-(2-methoxyphenoxy)ethoxy]ethoxy}-3,5-dimethylbenzene
CID 2284131
1-Bromo-2-[3-(2-methoxyphenoxy)propoxy]-3,5-dimethylbenzene
CID 2284470
Thelepin
CID 635290
(3,5-Dibromo-4-methoxyphenyl)methanol
CID 15923795
1-[4-(4-Bromophenoxy)phenyl]ethan-1-ol
CID 43506431
2-Bromo-6-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 60148602
4-bromo-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenol
CID 118720091
(1E,4E)-1-(3-bromo-4-hydroxyphenyl)-5-(2-methoxyphenyl)penta-1,4-dien-3-one
CID 145973614
4-[(Z)-7-(3-bromo-4-methoxyphenyl)-5-hydroxyhept-3-enyl]phenol
CID 145993465
2,6-dibromo-4-[(E)-2-(2-methoxyphenyl)ethenyl]phenol
CID 45257931

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromo-4,6-dimethylphenoxy)phenyl]methanol?
The IUPAC name of [4-(2-bromo-4,6-dimethylphenoxy)phenyl]methanol (CID 171129666) is [4-(2-bromo-4,6-dimethylphenoxy)phenyl]methanol.
What is the SMILES notation for [4-(2-bromo-4,6-dimethylphenoxy)phenyl]methanol?
The canonical SMILES for [4-(2-bromo-4,6-dimethylphenoxy)phenyl]methanol is Cc1cc(C)c(Oc2ccc(CO)cc2)c(Br)c1.
What is the InChIKey of [4-(2-bromo-4,6-dimethylphenoxy)phenyl]methanol?
The InChIKey is FUMQVUYXSTVECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c1-10-7-11(2)15(14(16)8-10)18-13-5-3-12(9-17)4-6-13/h3-8,17H,9H2,1-2H3.
What are the key properties of [4-(2-bromo-4,6-dimethylphenoxy)phenyl]methanol?
[4-(2-bromo-4,6-dimethylphenoxy)phenyl]methanol has a molecular weight of 307.19 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromo-4,6-dimethylphenoxy)phenyl]methanol is sourced from PubChem (CID 171129666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).