(3-bromophenyl)-(4,4-difluorocyclohexa-1,5-dien-1-yl)-phenylmethanol

C19H15BrF2O — CID 53446888

IUPAC(3-bromophenyl)-(4,4-difluorocyclohexa-1,5-dien-1-yl)-phenylmethanol
SMILESOC(C1=CCC(F)(F)C=C1)(c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C19H15BrF2O/c20-17-8-4-7-16(13-17)19(23,14-5-2-1-3-6-14)15-9-11-18(21,22)12-10-15/h1-11,13,23H,12H2
InChIKeyUIHYXHPMVOSEPV-UHFFFAOYSA-N
MW377.23 g/mol
LogP5.21
Rot. Bonds3

About (3-bromophenyl)-(4,4-difluorocyclohexa-1,5-dien-1-yl)-phenylmethanol

(3-bromophenyl)-(4,4-difluorocyclohexa-1,5-dien-1-yl)-phenylmethanol (PubChem CID 53446888) has the molecular formula C19H15BrF2O and a molecular weight of 377.23 g/mol. Its IUPAC name is (3-bromophenyl)-(4,4-difluorocyclohexa-1,5-dien-1-yl)-phenylmethanol.

Molecular Properties

Compound Name(3-bromophenyl)-(4,4-difluorocyclohexa-1,5-dien-1-yl)-phenylmethanol
PubChem CID53446888
Molecular FormulaC19H15BrF2O
Molecular Weight377.23 g/mol
Exact Mass376.03
IUPAC Name(3-bromophenyl)-(4,4-difluorocyclohexa-1,5-dien-1-yl)-phenylmethanol
SMILESOC(C1=CCC(F)(F)C=C1)(c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C19H15BrF2O/c20-17-8-4-7-16(13-17)19(23,14-5-2-1-3-6-14)15-9-11-18(21,22)12-10-15/h1-11,13,23H,12H2
InChIKeyUIHYXHPMVOSEPV-UHFFFAOYSA-N
XLogP5.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.23
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 2-(4,4-difluorocyclohexa-1,5-dien-1-yl)-2-hydroxy-2-phenylacetate
CID 161334756
(R)-(3-bromophenyl)-(5,5-dimethoxycyclohexa-1,3-dien-1-yl)-phenylmethanol
CID 97303881
2-(3-bromophenyl)-2,2-difluoroacetic acid
CID 28740330
1-bromo-3-[(3-bromophenyl)-diphenylmethyl]benzene
CID 140824221
1-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62802958
1,3-dibromocyclodeca-1,3,5,7,9-pentaene
CID 144708258
2-(3-bromophenyl)but-3-en-2-ol;ethane
CID 90927695
1-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62787446
amino-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-phenylmethanol
CID 118292910
azane;1-bromo-3-(trifluoromethyl)benzene;carbonic acid
CID 175115422
1,3-dibromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 54590075
3-(3-bromophenyl)pentan-3-ol
CID 57443482

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(4,4-difluorocyclohexa-1,5-dien-1-yl)-phenylmethanol?
The IUPAC name of (3-bromophenyl)-(4,4-difluorocyclohexa-1,5-dien-1-yl)-phenylmethanol (CID 53446888) is (3-bromophenyl)-(4,4-difluorocyclohexa-1,5-dien-1-yl)-phenylmethanol.
What is the SMILES notation for (3-bromophenyl)-(4,4-difluorocyclohexa-1,5-dien-1-yl)-phenylmethanol?
The canonical SMILES for (3-bromophenyl)-(4,4-difluorocyclohexa-1,5-dien-1-yl)-phenylmethanol is OC(C1=CCC(F)(F)C=C1)(c1ccccc1)c1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl)-(4,4-difluorocyclohexa-1,5-dien-1-yl)-phenylmethanol?
The InChIKey is UIHYXHPMVOSEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrF2O/c20-17-8-4-7-16(13-17)19(23,14-5-2-1-3-6-14)15-9-11-18(21,22)12-10-15/h1-11,13,23H,12H2.
What are the key properties of (3-bromophenyl)-(4,4-difluorocyclohexa-1,5-dien-1-yl)-phenylmethanol?
(3-bromophenyl)-(4,4-difluorocyclohexa-1,5-dien-1-yl)-phenylmethanol has a molecular weight of 377.23 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(4,4-difluorocyclohexa-1,5-dien-1-yl)-phenylmethanol is sourced from PubChem (CID 53446888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).