(6-bromo-2-fluoro-3-phenylmethoxyphenyl)-cyclopropylmethanol

C17H16BrFO2 — CID 171366387

IUPAC(6-bromo-2-fluoro-3-phenylmethoxyphenyl)-cyclopropylmethanol
SMILESOC(c1c(Br)ccc(OCc2ccccc2)c1F)C1CC1
InChIInChI=1S/C17H16BrFO2/c18-13-8-9-14(21-10-11-4-2-1-3-5-11)16(19)15(13)17(20)12-6-7-12/h1-5,8-9,12,17,20H,6-7,10H2
InChIKeyDPYZZDLRMXGNDH-UHFFFAOYSA-N
MW351.22 g/mol
LogP4.61
Rot. Bonds5

About (6-bromo-2-fluoro-3-phenylmethoxyphenyl)-cyclopropylmethanol

(6-bromo-2-fluoro-3-phenylmethoxyphenyl)-cyclopropylmethanol (PubChem CID 171366387) has the molecular formula C17H16BrFO2 and a molecular weight of 351.22 g/mol. Its IUPAC name is (6-bromo-2-fluoro-3-phenylmethoxyphenyl)-cyclopropylmethanol.

Molecular Properties

Compound Name(6-bromo-2-fluoro-3-phenylmethoxyphenyl)-cyclopropylmethanol
PubChem CID171366387
Molecular FormulaC17H16BrFO2
Molecular Weight351.22 g/mol
Exact Mass350.03
IUPAC Name(6-bromo-2-fluoro-3-phenylmethoxyphenyl)-cyclopropylmethanol
SMILESOC(c1c(Br)ccc(OCc2ccccc2)c1F)C1CC1
InChIInChI=1S/C17H16BrFO2/c18-13-8-9-14(21-10-11-4-2-1-3-5-11)16(19)15(13)17(20)12-6-7-12/h1-5,8-9,12,17,20H,6-7,10H2
InChIKeyDPYZZDLRMXGNDH-UHFFFAOYSA-N
XLogP4.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)propan-1-ol
CID 171367246
1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)pentan-1-ol
CID 171367389
1-bromo-3-fluoro-2-(3-methylbut-1-ynyl)-4-phenylmethoxybenzene
CID 156877177
2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
2-bromo-6-phenylmethoxyphenol
CID 67346586
1-ethenyl-2,3-difluoro-4-phenylmethoxybenzene
CID 172563052
1-bromo-3-chloro-2-iodo-4-phenylmethoxybenzene
CID 146035383
1-(2-fluoro-6-methoxy-3-phenylmethoxyphenyl)propan-2-ol
CID 117469072
1-(4-bromophenyl)-2,3-difluoro-4-phenylmethoxybenzene
CID 54164319
(3-fluoro-2-iodo-4-phenylmethoxyphenyl)methanol
CID 137378511
1-[2-(5-bromo-2-phenylmethoxyphenyl)-2-hydroxyethyl]piperidin-4-ol
CID 141118408
(1S,2R)-2-amino-1-cyclopropyl-2-(4-methoxy-3-phenylmethoxyphenyl)ethanol
CID 171264853

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-fluoro-3-phenylmethoxyphenyl)-cyclopropylmethanol?
The IUPAC name of (6-bromo-2-fluoro-3-phenylmethoxyphenyl)-cyclopropylmethanol (CID 171366387) is (6-bromo-2-fluoro-3-phenylmethoxyphenyl)-cyclopropylmethanol.
What is the SMILES notation for (6-bromo-2-fluoro-3-phenylmethoxyphenyl)-cyclopropylmethanol?
The canonical SMILES for (6-bromo-2-fluoro-3-phenylmethoxyphenyl)-cyclopropylmethanol is OC(c1c(Br)ccc(OCc2ccccc2)c1F)C1CC1.
What is the InChIKey of (6-bromo-2-fluoro-3-phenylmethoxyphenyl)-cyclopropylmethanol?
The InChIKey is DPYZZDLRMXGNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFO2/c18-13-8-9-14(21-10-11-4-2-1-3-5-11)16(19)15(13)17(20)12-6-7-12/h1-5,8-9,12,17,20H,6-7,10H2.
What are the key properties of (6-bromo-2-fluoro-3-phenylmethoxyphenyl)-cyclopropylmethanol?
(6-bromo-2-fluoro-3-phenylmethoxyphenyl)-cyclopropylmethanol has a molecular weight of 351.22 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-fluoro-3-phenylmethoxyphenyl)-cyclopropylmethanol is sourced from PubChem (CID 171366387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).