(2,5-dibromophenyl)-(3-propoxyphenyl)methanol

C16H16Br2O2 — CID 63425956

IUPAC(2,5-dibromophenyl)-(3-propoxyphenyl)methanol
SMILESCCCOc1cccc(C(O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C16H16Br2O2/c1-2-8-20-13-5-3-4-11(9-13)16(19)14-10-12(17)6-7-15(14)18/h3-7,9-10,16,19H,2,8H2,1H3
InChIKeyBEQDJMLNPJQPEP-UHFFFAOYSA-N
MW400.11 g/mol
LogP5.08
Rot. Bonds5

About (2,5-dibromophenyl)-(3-propoxyphenyl)methanol

(2,5-dibromophenyl)-(3-propoxyphenyl)methanol (PubChem CID 63425956) has the molecular formula C16H16Br2O2 and a molecular weight of 400.11 g/mol. Its IUPAC name is (2,5-dibromophenyl)-(3-propoxyphenyl)methanol.

Molecular Properties

Compound Name(2,5-dibromophenyl)-(3-propoxyphenyl)methanol
PubChem CID63425956
Molecular FormulaC16H16Br2O2
Molecular Weight400.11 g/mol
Exact Mass397.95
IUPAC Name(2,5-dibromophenyl)-(3-propoxyphenyl)methanol
SMILESCCCOc1cccc(C(O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C16H16Br2O2/c1-2-8-20-13-5-3-4-11(9-13)16(19)14-10-12(17)6-7-15(14)18/h3-7,9-10,16,19H,2,8H2,1H3
InChIKeyBEQDJMLNPJQPEP-UHFFFAOYSA-N
XLogP5.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.11
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dibromophenyl)-(3-methoxyphenyl)methanol
CID 61100755
(2-methoxyphenyl)-(3-propoxyphenyl)methanol
CID 63894602
(2-ethoxyphenyl)-(3-propoxyphenyl)methanol
CID 63894023
(4,5-dibromothiophen-2-yl)-(3-propoxyphenyl)methanol
CID 80535665
(2,5-dichlorophenyl)-(3-propoxyphenyl)methanol
CID 62919523
(5-bromo-4-methylthiophen-2-yl)-(3-propoxyphenyl)methanol
CID 79991363
(3-propoxyphenyl)-(4-propylphenyl)methanol
CID 62919013
2-(5-bromo-2-pyridinyl)-1-(3-propoxyphenyl)ethanol
CID 104801712
1-benzothiophen-7-yl-(3-propoxyphenyl)methanol
CID 81131839
(5-bromo-2-ethoxyphenyl)-(3-bromophenyl)methanol
CID 61082247
1-(3-propoxyphenyl)pentan-1-ol
CID 65145757
(2,5-dibromophenyl)-(4-propylphenyl)methanol
CID 114374739

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-(3-propoxyphenyl)methanol?
The IUPAC name of (2,5-dibromophenyl)-(3-propoxyphenyl)methanol (CID 63425956) is (2,5-dibromophenyl)-(3-propoxyphenyl)methanol.
What is the SMILES notation for (2,5-dibromophenyl)-(3-propoxyphenyl)methanol?
The canonical SMILES for (2,5-dibromophenyl)-(3-propoxyphenyl)methanol is CCCOc1cccc(C(O)c2cc(Br)ccc2Br)c1.
What is the InChIKey of (2,5-dibromophenyl)-(3-propoxyphenyl)methanol?
The InChIKey is BEQDJMLNPJQPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O2/c1-2-8-20-13-5-3-4-11(9-13)16(19)14-10-12(17)6-7-15(14)18/h3-7,9-10,16,19H,2,8H2,1H3.
What are the key properties of (2,5-dibromophenyl)-(3-propoxyphenyl)methanol?
(2,5-dibromophenyl)-(3-propoxyphenyl)methanol has a molecular weight of 400.11 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-(3-propoxyphenyl)methanol is sourced from PubChem (CID 63425956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).