4-(3-bromoprop-1-enyl)-2-chloro-6-methylphenol

C10H10BrClO — CID 169475382

IUPAC4-(3-bromoprop-1-enyl)-2-chloro-6-methylphenol
SMILESCc1cc(C=CCBr)cc(Cl)c1O
InChIInChI=1S/C10H10BrClO/c1-7-5-8(3-2-4-11)6-9(12)10(7)13/h2-3,5-6,13H,4H2,1H3
InChIKeyROSBWKOZKCDRQS-UHFFFAOYSA-N
MW261.55 g/mol
LogP3.76
Rot. Bonds2

About 4-(3-bromoprop-1-enyl)-2-chloro-6-methylphenol

4-(3-bromoprop-1-enyl)-2-chloro-6-methylphenol (PubChem CID 169475382) has the molecular formula C10H10BrClO and a molecular weight of 261.55 g/mol. Its IUPAC name is 4-(3-bromoprop-1-enyl)-2-chloro-6-methylphenol.

Molecular Properties

Compound Name4-(3-bromoprop-1-enyl)-2-chloro-6-methylphenol
PubChem CID169475382
Molecular FormulaC10H10BrClO
Molecular Weight261.55 g/mol
Exact Mass259.96
IUPAC Name4-(3-bromoprop-1-enyl)-2-chloro-6-methylphenol
SMILESCc1cc(C=CCBr)cc(Cl)c1O
InChIInChI=1S/C10H10BrClO/c1-7-5-8(3-2-4-11)6-9(12)10(7)13/h2-3,5-6,13H,4H2,1H3
InChIKeyROSBWKOZKCDRQS-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.55
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chloro-4-hydroxy-5-methylphenyl)but-3-enenitrile
CID 170799572
2-chloro-6-methyl-4-[4-(methylamino)but-1-enyl]phenol
CID 170495653
S-[3-(3-chloro-4-hydroxy-5-methylphenyl)prop-2-enyl] ethanethioate
CID 169457097
3-(3-chloro-4-hydroxy-5-methylphenyl)prop-2-enal
CID 169458992
N-[4-(3-chloro-4-hydroxy-5-methylphenyl)but-3-enyl]acetamide
CID 170488562
1-(3-bromoprop-1-enyl)-3,5-dichlorobenzene
CID 54321123
5-(3-bromoprop-1-enyl)-2-chlorophenol
CID 169475092
4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,6-dimethylphenol
CID 71463708
4-[2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-2,6-dimethylphenol
CID 54449458
1-[4-(3-bromoprop-1-enyl)-2-chlorophenyl]ethanone
CID 169475753
4-(3-aminoprop-1-enyl)-2-chloro-6-methoxyphenol
CID 169464704
methyl 5-(4-hydroxy-3,5-dimethylphenyl)pent-4-enoate
CID 71413804

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromoprop-1-enyl)-2-chloro-6-methylphenol?
The IUPAC name of 4-(3-bromoprop-1-enyl)-2-chloro-6-methylphenol (CID 169475382) is 4-(3-bromoprop-1-enyl)-2-chloro-6-methylphenol.
What is the SMILES notation for 4-(3-bromoprop-1-enyl)-2-chloro-6-methylphenol?
The canonical SMILES for 4-(3-bromoprop-1-enyl)-2-chloro-6-methylphenol is Cc1cc(C=CCBr)cc(Cl)c1O.
What is the InChIKey of 4-(3-bromoprop-1-enyl)-2-chloro-6-methylphenol?
The InChIKey is ROSBWKOZKCDRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO/c1-7-5-8(3-2-4-11)6-9(12)10(7)13/h2-3,5-6,13H,4H2,1H3.
What are the key properties of 4-(3-bromoprop-1-enyl)-2-chloro-6-methylphenol?
4-(3-bromoprop-1-enyl)-2-chloro-6-methylphenol has a molecular weight of 261.55 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromoprop-1-enyl)-2-chloro-6-methylphenol is sourced from PubChem (CID 169475382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).