(3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanol

C16H16BrClO2 — CID 107947461

IUPAC(3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1ccc(C(O)c2cc(Cl)cc(Br)c2)cc1
InChIInChI=1S/C16H16BrClO2/c1-10(2)20-15-5-3-11(4-6-15)16(19)12-7-13(17)9-14(18)8-12/h3-10,16,19H,1-2H3
InChIKeyWPELYDRBYUAOPV-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.97
Rot. Bonds4

About (3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanol

(3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanol (PubChem CID 107947461) has the molecular formula C16H16BrClO2 and a molecular weight of 355.66 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanol
PubChem CID107947461
Molecular FormulaC16H16BrClO2
Molecular Weight355.66 g/mol
Exact Mass354.00
IUPAC Name(3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1ccc(C(O)c2cc(Cl)cc(Br)c2)cc1
InChIInChI=1S/C16H16BrClO2/c1-10(2)20-15-5-3-11(4-6-15)16(19)12-7-13(17)9-14(18)8-12/h3-10,16,19H,1-2H3
InChIKeyWPELYDRBYUAOPV-UHFFFAOYSA-N
XLogP4.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-5-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 107947631
(3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 107944446
(3,5-dichlorophenyl)-(4-methoxyphenyl)methanol
CID 61100898
(3,4-dimethylphenyl)-(4-propan-2-yloxyphenyl)methanol
CID 61086884
(3-bromo-5-chlorophenyl)-(4-cyclobutylphenyl)methanol
CID 107947823
(3-bromo-5-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 107955365
(3-bromo-5-chlorophenyl)-(furan-3-yl)methanol
CID 107947484
(3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 63895368
(3-bromo-5-methylphenyl)-(4-methoxyphenyl)methanol
CID 113460969
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol
CID 139745260
(S)-(4-chlorophenyl)-(3,5-dichlorophenyl)methanol
CID 26595568
(R)-(4-chlorophenyl)-(3,5-dichlorophenyl)methanol
CID 26595571

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanol?
The IUPAC name of (3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanol (CID 107947461) is (3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanol.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanol?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanol is CC(C)Oc1ccc(C(O)c2cc(Cl)cc(Br)c2)cc1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanol?
The InChIKey is WPELYDRBYUAOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO2/c1-10(2)20-15-5-3-11(4-6-15)16(19)12-7-13(17)9-14(18)8-12/h3-10,16,19H,1-2H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanol?
(3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanol has a molecular weight of 355.66 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanol is sourced from PubChem (CID 107947461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).