2-(bromomethyl)-4-methyl-1-nonoxybenzene

C17H27BrO — CID 63535427

IUPAC2-(bromomethyl)-4-methyl-1-nonoxybenzene
SMILESCCCCCCCCCOc1ccc(C)cc1CBr
InChIInChI=1S/C17H27BrO/c1-3-4-5-6-7-8-9-12-19-17-11-10-15(2)13-16(17)14-18/h10-11,13H,3-9,12,14H2,1-2H3
InChIKeyDHEREBRLWJJNLX-UHFFFAOYSA-N
MW327.31 g/mol
LogP6.02
Rot. Bonds10

About 2-(bromomethyl)-4-methyl-1-nonoxybenzene

2-(bromomethyl)-4-methyl-1-nonoxybenzene (PubChem CID 63535427) has the molecular formula C17H27BrO and a molecular weight of 327.31 g/mol. Its IUPAC name is 2-(bromomethyl)-4-methyl-1-nonoxybenzene.

Molecular Properties

Compound Name2-(bromomethyl)-4-methyl-1-nonoxybenzene
PubChem CID63535427
Molecular FormulaC17H27BrO
Molecular Weight327.31 g/mol
Exact Mass326.12
IUPAC Name2-(bromomethyl)-4-methyl-1-nonoxybenzene
SMILESCCCCCCCCCOc1ccc(C)cc1CBr
InChIInChI=1S/C17H27BrO/c1-3-4-5-6-7-8-9-12-19-17-11-10-15(2)13-16(17)14-18/h10-11,13H,3-9,12,14H2,1-2H3
InChIKeyDHEREBRLWJJNLX-UHFFFAOYSA-N
XLogP6.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.31
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-1-hexoxy-4-methylbenzene
CID 63535574
1-butoxy-2-ethyl-4-methylbenzene
CID 20826275
N-methyl-1-(5-methyl-2-pentoxyphenyl)methanamine
CID 63323494
1-(bromomethyl)-2-dodecoxybenzene
CID 63534495
1,2-bis(bromomethyl)-4,5-dipentoxybenzene
CID 141467744
2-(bromomethyl)-4-nitro-1-nonoxybenzene
CID 3536348
2-hexadecoxy-1,4-dimethylbenzene
CID 102286063
4-methyl-2-methylsulfanyl-1-octoxybenzene
CID 20650378
5-methyl-2-nonoxybenzoic acid
CID 63463067
2-(2-butoxy-5-methylphenyl)acetic acid
CID 82051975
1,4-dimethyl-2-pentoxybenzene
CID 59184214
4-methyl-2-tetradecoxyphenol
CID 19014152

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-methyl-1-nonoxybenzene?
The IUPAC name of 2-(bromomethyl)-4-methyl-1-nonoxybenzene (CID 63535427) is 2-(bromomethyl)-4-methyl-1-nonoxybenzene.
What is the SMILES notation for 2-(bromomethyl)-4-methyl-1-nonoxybenzene?
The canonical SMILES for 2-(bromomethyl)-4-methyl-1-nonoxybenzene is CCCCCCCCCOc1ccc(C)cc1CBr.
What is the InChIKey of 2-(bromomethyl)-4-methyl-1-nonoxybenzene?
The InChIKey is DHEREBRLWJJNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrO/c1-3-4-5-6-7-8-9-12-19-17-11-10-15(2)13-16(17)14-18/h10-11,13H,3-9,12,14H2,1-2H3.
What are the key properties of 2-(bromomethyl)-4-methyl-1-nonoxybenzene?
2-(bromomethyl)-4-methyl-1-nonoxybenzene has a molecular weight of 327.31 g/mol, XLogP of 6.02, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-methyl-1-nonoxybenzene is sourced from PubChem (CID 63535427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).