(R)-(2-bromophenyl)-(3-propan-2-yloxyphenyl)methanol

C16H17BrO2 — CID 97056028

IUPAC(R)-(2-bromophenyl)-(3-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1cccc([C@@H](O)c2ccccc2Br)c1
InChIInChI=1S/C16H17BrO2/c1-11(2)19-13-7-5-6-12(10-13)16(18)14-8-3-4-9-15(14)17/h3-11,16,18H,1-2H3/t16-/m1/s1
InChIKeyOHPGRETWXDHTDS-MRXNPFEDSA-N
MW321.21 g/mol
LogP4.32
Rot. Bonds4

About (R)-(2-bromophenyl)-(3-propan-2-yloxyphenyl)methanol

(R)-(2-bromophenyl)-(3-propan-2-yloxyphenyl)methanol (PubChem CID 97056028) has the molecular formula C16H17BrO2 and a molecular weight of 321.21 g/mol. Its IUPAC name is (R)-(2-bromophenyl)-(3-propan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name(R)-(2-bromophenyl)-(3-propan-2-yloxyphenyl)methanol
PubChem CID97056028
Molecular FormulaC16H17BrO2
Molecular Weight321.21 g/mol
Exact Mass320.04
IUPAC Name(R)-(2-bromophenyl)-(3-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1cccc([C@@H](O)c2ccccc2Br)c1
InChIInChI=1S/C16H17BrO2/c1-11(2)19-13-7-5-6-12(10-13)16(18)14-8-3-4-9-15(14)17/h3-11,16,18H,1-2H3/t16-/m1/s1
InChIKeyOHPGRETWXDHTDS-MRXNPFEDSA-N
XLogP4.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 107947698
(2-bromo-3-methylphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 107985793
(2,5-dibromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 81473774
(4-bromo-2-methoxyphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 115824010
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 105399544
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
(2,5-difluorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 62918976
(3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 63895368
(2,5-dichlorothiophen-3-yl)-(3-propan-2-yloxyphenyl)methanol
CID 62919997
(4-aminophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 106695525
(3-bromo-2-chlorophenyl)-(3-methoxyphenyl)methanol
CID 114976791
(1,3-dimethylpyrazol-4-yl)-(3-propan-2-yloxyphenyl)methanol
CID 83091659

Frequently Asked Questions

What is the IUPAC name of (R)-(2-bromophenyl)-(3-propan-2-yloxyphenyl)methanol?
The IUPAC name of (R)-(2-bromophenyl)-(3-propan-2-yloxyphenyl)methanol (CID 97056028) is (R)-(2-bromophenyl)-(3-propan-2-yloxyphenyl)methanol.
What is the SMILES notation for (R)-(2-bromophenyl)-(3-propan-2-yloxyphenyl)methanol?
The canonical SMILES for (R)-(2-bromophenyl)-(3-propan-2-yloxyphenyl)methanol is CC(C)Oc1cccc([C@@H](O)c2ccccc2Br)c1.
What is the InChIKey of (R)-(2-bromophenyl)-(3-propan-2-yloxyphenyl)methanol?
The InChIKey is OHPGRETWXDHTDS-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H17BrO2/c1-11(2)19-13-7-5-6-12(10-13)16(18)14-8-3-4-9-15(14)17/h3-11,16,18H,1-2H3/t16-/m1/s1.
What are the key properties of (R)-(2-bromophenyl)-(3-propan-2-yloxyphenyl)methanol?
(R)-(2-bromophenyl)-(3-propan-2-yloxyphenyl)methanol has a molecular weight of 321.21 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2-bromophenyl)-(3-propan-2-yloxyphenyl)methanol is sourced from PubChem (CID 97056028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).