(4-bromo-2-methoxyphenyl)-(3-propan-2-yloxyphenyl)methanol

C17H19BrO3 — CID 115824010

IUPAC(4-bromo-2-methoxyphenyl)-(3-propan-2-yloxyphenyl)methanol
SMILESCOc1cc(Br)ccc1C(O)c1cccc(OC(C)C)c1
InChIInChI=1S/C17H19BrO3/c1-11(2)21-14-6-4-5-12(9-14)17(19)15-8-7-13(18)10-16(15)20-3/h4-11,17,19H,1-3H3
InChIKeyBNIPANSIWZTWMK-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.33
Rot. Bonds5

About (4-bromo-2-methoxyphenyl)-(3-propan-2-yloxyphenyl)methanol

(4-bromo-2-methoxyphenyl)-(3-propan-2-yloxyphenyl)methanol (PubChem CID 115824010) has the molecular formula C17H19BrO3 and a molecular weight of 351.24 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-(3-propan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-(3-propan-2-yloxyphenyl)methanol
PubChem CID115824010
Molecular FormulaC17H19BrO3
Molecular Weight351.24 g/mol
Exact Mass350.05
IUPAC Name(4-bromo-2-methoxyphenyl)-(3-propan-2-yloxyphenyl)methanol
SMILESCOc1cc(Br)ccc1C(O)c1cccc(OC(C)C)c1
InChIInChI=1S/C17H19BrO3/c1-11(2)21-14-6-4-5-12(9-14)17(19)15-8-7-13(18)10-16(15)20-3/h4-11,17,19H,1-3H3
InChIKeyBNIPANSIWZTWMK-UHFFFAOYSA-N
XLogP4.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 107947698
(R)-(2-bromophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 97056028
(2,5-dibromophenyl)-(3-methoxyphenyl)methanol
CID 61100755
(2-bromo-3-methylphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 107985793
(3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol
CID 115369701
(2,5-dibromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 81473774
(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxyphenyl)methanol
CID 65432396
(4-bromo-2,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol
CID 105057045
(4-bromo-2-methoxyphenyl)-(4-butan-2-ylphenyl)methanol
CID 115369721
(3-methoxythiophen-2-yl)-(3-propan-2-yloxyphenyl)methanol
CID 115824055
(4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 115369706
1-bromo-4-[bromo-(3-propan-2-yloxyphenyl)methyl]benzene
CID 63439428

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-(3-propan-2-yloxyphenyl)methanol?
The IUPAC name of (4-bromo-2-methoxyphenyl)-(3-propan-2-yloxyphenyl)methanol (CID 115824010) is (4-bromo-2-methoxyphenyl)-(3-propan-2-yloxyphenyl)methanol.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-(3-propan-2-yloxyphenyl)methanol?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-(3-propan-2-yloxyphenyl)methanol is COc1cc(Br)ccc1C(O)c1cccc(OC(C)C)c1.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-(3-propan-2-yloxyphenyl)methanol?
The InChIKey is BNIPANSIWZTWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO3/c1-11(2)21-14-6-4-5-12(9-14)17(19)15-8-7-13(18)10-16(15)20-3/h4-11,17,19H,1-3H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-(3-propan-2-yloxyphenyl)methanol?
(4-bromo-2-methoxyphenyl)-(3-propan-2-yloxyphenyl)methanol has a molecular weight of 351.24 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)-(3-propan-2-yloxyphenyl)methanol is sourced from PubChem (CID 115824010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).