(3-bromo-4-propoxyphenyl)-(2-chlorophenyl)methanol

C16H16BrClO2 — CID 104661270

IUPAC(3-bromo-4-propoxyphenyl)-(2-chlorophenyl)methanol
SMILESCCCOc1ccc(C(O)c2ccccc2Cl)cc1Br
InChIInChI=1S/C16H16BrClO2/c1-2-9-20-15-8-7-11(10-13(15)17)16(19)12-5-3-4-6-14(12)18/h3-8,10,16,19H,2,9H2,1H3
InChIKeyJCTLNTBTEDNIDT-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.97
Rot. Bonds5

About (3-bromo-4-propoxyphenyl)-(2-chlorophenyl)methanol

(3-bromo-4-propoxyphenyl)-(2-chlorophenyl)methanol (PubChem CID 104661270) has the molecular formula C16H16BrClO2 and a molecular weight of 355.66 g/mol. Its IUPAC name is (3-bromo-4-propoxyphenyl)-(2-chlorophenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-propoxyphenyl)-(2-chlorophenyl)methanol
PubChem CID104661270
Molecular FormulaC16H16BrClO2
Molecular Weight355.66 g/mol
Exact Mass354.00
IUPAC Name(3-bromo-4-propoxyphenyl)-(2-chlorophenyl)methanol
SMILESCCCOc1ccc(C(O)c2ccccc2Cl)cc1Br
InChIInChI=1S/C16H16BrClO2/c1-2-9-20-15-8-7-11(10-13(15)17)16(19)12-5-3-4-6-14(12)18/h3-8,10,16,19H,2,9H2,1H3
InChIKeyJCTLNTBTEDNIDT-UHFFFAOYSA-N
XLogP4.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol
CID 104661288
(3-bromo-4-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol
CID 107991347
(3-bromo-4-propoxyphenyl)-(4-chlorophenyl)methanol
CID 104661171
(3-bromo-4-methoxyphenyl)-(2-propoxyphenyl)methanol
CID 104658559
(3-bromo-4-propoxyphenyl)-(4-fluorophenyl)methanol
CID 104661170
(3-bromo-4-fluorophenyl)-(2-propoxyphenyl)methanol
CID 104658638
(3-bromo-4-propoxyphenyl)-(5-chlorothiophen-2-yl)methanol
CID 104661241
(3-bromo-4-ethoxyphenyl)-(2-iodophenyl)methanol
CID 104661098
[3-bromo-4-(2-methoxyethoxy)phenyl]-(2-fluorophenyl)methanol
CID 104661372
(5-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanamine
CID 104657790
2-bromo-1-[(3-bromo-4-propoxyphenyl)-chloromethyl]-3-methylbenzene
CID 107983638
(3-bromo-4-ethoxyphenyl)-(4-ethylphenyl)methanol
CID 67459476

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-propoxyphenyl)-(2-chlorophenyl)methanol?
The IUPAC name of (3-bromo-4-propoxyphenyl)-(2-chlorophenyl)methanol (CID 104661270) is (3-bromo-4-propoxyphenyl)-(2-chlorophenyl)methanol.
What is the SMILES notation for (3-bromo-4-propoxyphenyl)-(2-chlorophenyl)methanol?
The canonical SMILES for (3-bromo-4-propoxyphenyl)-(2-chlorophenyl)methanol is CCCOc1ccc(C(O)c2ccccc2Cl)cc1Br.
What is the InChIKey of (3-bromo-4-propoxyphenyl)-(2-chlorophenyl)methanol?
The InChIKey is JCTLNTBTEDNIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO2/c1-2-9-20-15-8-7-11(10-13(15)17)16(19)12-5-3-4-6-14(12)18/h3-8,10,16,19H,2,9H2,1H3.
What are the key properties of (3-bromo-4-propoxyphenyl)-(2-chlorophenyl)methanol?
(3-bromo-4-propoxyphenyl)-(2-chlorophenyl)methanol has a molecular weight of 355.66 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-propoxyphenyl)-(2-chlorophenyl)methanol is sourced from PubChem (CID 104661270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).