3-[(Z)-2-(3-bromo-2-methylphenyl)-1-fluoroethenyl]phenol

C15H12BrFO — CID 172768997

IUPAC3-[(Z)-2-(3-bromo-2-methylphenyl)-1-fluoroethenyl]phenol
SMILESCc1c(Br)cccc1/C=C(\F)c1cccc(O)c1
InChIInChI=1S/C15H12BrFO/c1-10-11(4-3-7-14(10)16)9-15(17)12-5-2-6-13(18)8-12/h2-9,18H,1H3/b15-9-
InChIKeyMRTPCXUIFXVQFT-DHDCSXOGSA-N
MW307.16 g/mol
LogP4.93
Rot. Bonds2

About 3-[(Z)-2-(3-bromo-2-methylphenyl)-1-fluoroethenyl]phenol

3-[(Z)-2-(3-bromo-2-methylphenyl)-1-fluoroethenyl]phenol (PubChem CID 172768997) has the molecular formula C15H12BrFO and a molecular weight of 307.16 g/mol. Its IUPAC name is 3-[(Z)-2-(3-bromo-2-methylphenyl)-1-fluoroethenyl]phenol.

Molecular Properties

Compound Name3-[(Z)-2-(3-bromo-2-methylphenyl)-1-fluoroethenyl]phenol
PubChem CID172768997
Molecular FormulaC15H12BrFO
Molecular Weight307.16 g/mol
Exact Mass306.01
IUPAC Name3-[(Z)-2-(3-bromo-2-methylphenyl)-1-fluoroethenyl]phenol
SMILESCc1c(Br)cccc1/C=C(\F)c1cccc(O)c1
InChIInChI=1S/C15H12BrFO/c1-10-11(4-3-7-14(10)16)9-15(17)12-5-2-6-13(18)8-12/h2-9,18H,1H3/b15-9-
InChIKeyMRTPCXUIFXVQFT-DHDCSXOGSA-N
XLogP4.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-Bromo-2-naphthol
CID 11316
6-Bromo-2-naphthalenol
CID 27144
2-Naphthol, 1,6-dibromo-
CID 27768
2-Bromo-4-phenylphenol
CID 27297
2-Naphthalenol, 3-bromo-
CID 45943
4-Bromonaphthalen-1-ol
CID 575609
3-Bromo-4-phenylphenol
CID 66691
4-Bromo-m-cresol
CID 72857
4-Bromo-2-naphthol
CID 12115596
2-Bromo-3-methylphenol
CID 265090
7-Bromo-2-naphthol
CID 613827
4-Bromo-2,3-dimethylphenol
CID 13974656

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-(3-bromo-2-methylphenyl)-1-fluoroethenyl]phenol?
The IUPAC name of 3-[(Z)-2-(3-bromo-2-methylphenyl)-1-fluoroethenyl]phenol (CID 172768997) is 3-[(Z)-2-(3-bromo-2-methylphenyl)-1-fluoroethenyl]phenol.
What is the SMILES notation for 3-[(Z)-2-(3-bromo-2-methylphenyl)-1-fluoroethenyl]phenol?
The canonical SMILES for 3-[(Z)-2-(3-bromo-2-methylphenyl)-1-fluoroethenyl]phenol is Cc1c(Br)cccc1/C=C(\F)c1cccc(O)c1.
What is the InChIKey of 3-[(Z)-2-(3-bromo-2-methylphenyl)-1-fluoroethenyl]phenol?
The InChIKey is MRTPCXUIFXVQFT-DHDCSXOGSA-N. The full InChI is InChI=1S/C15H12BrFO/c1-10-11(4-3-7-14(10)16)9-15(17)12-5-2-6-13(18)8-12/h2-9,18H,1H3/b15-9-.
What are the key properties of 3-[(Z)-2-(3-bromo-2-methylphenyl)-1-fluoroethenyl]phenol?
3-[(Z)-2-(3-bromo-2-methylphenyl)-1-fluoroethenyl]phenol has a molecular weight of 307.16 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-(3-bromo-2-methylphenyl)-1-fluoroethenyl]phenol is sourced from PubChem (CID 172768997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).