(4-chloro-6-methylheptoxy)methylbenzene

C15H23ClO — CID 130537115

IUPAC(4-chloro-6-methylheptoxy)methylbenzene
SMILESCC(C)CC(Cl)CCCOCc1ccccc1
InChIInChI=1S/C15H23ClO/c1-13(2)11-15(16)9-6-10-17-12-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3
InChIKeyGMIMCRFNPGNUPE-UHFFFAOYSA-N
MW254.80 g/mol
LogP4.64
Rot. Bonds8

About (4-chloro-6-methylheptoxy)methylbenzene

(4-chloro-6-methylheptoxy)methylbenzene (PubChem CID 130537115) has the molecular formula C15H23ClO and a molecular weight of 254.80 g/mol. Its IUPAC name is (4-chloro-6-methylheptoxy)methylbenzene.

Molecular Properties

Compound Name(4-chloro-6-methylheptoxy)methylbenzene
PubChem CID130537115
Molecular FormulaC15H23ClO
Molecular Weight254.80 g/mol
Exact Mass254.14
IUPAC Name(4-chloro-6-methylheptoxy)methylbenzene
SMILESCC(C)CC(Cl)CCCOCc1ccccc1
InChIInChI=1S/C15H23ClO/c1-13(2)11-15(16)9-6-10-17-12-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3
InChIKeyGMIMCRFNPGNUPE-UHFFFAOYSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 54.64
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

(4S)-6-methyl-1-phenylmethoxyheptan-4-ol
CID 11322322
5-methyl-1-phenylmethoxyhexan-3-ol
CID 121302735
3-methyl-6-phenylmethoxyhexan-2-amine
CID 130588586
(2S)-2-methyl-5-phenylmethoxypentanal
CID 11218003
4-methyl-7-phenylmethoxyheptan-1-ol
CID 142091030
(2R)-6-phenylmethoxyhexan-2-ol
CID 50901799
3-methyl-6-phenylmethoxyhexan-2-one
CID 15686946
1-(2-phenylmethoxyethoxy)ethanol
CID 121292346
(6-bromo-5-methylhexoxy)methylbenzene
CID 130588716
2,18-dimethyl-6,14-bis(4-methylpentyl)-10-(3-phenylmethoxypropyl)nonadecane-6,14-diol
CID 139255028
1-phenyl-4-phenylmethoxybutan-1-ol
CID 101407523
[(E,4R)-4-methyloct-5-enoxy]methylbenzene
CID 102424556

Frequently Asked Questions

What is the IUPAC name of (4-chloro-6-methylheptoxy)methylbenzene?
The IUPAC name of (4-chloro-6-methylheptoxy)methylbenzene (CID 130537115) is (4-chloro-6-methylheptoxy)methylbenzene.
What is the SMILES notation for (4-chloro-6-methylheptoxy)methylbenzene?
The canonical SMILES for (4-chloro-6-methylheptoxy)methylbenzene is CC(C)CC(Cl)CCCOCc1ccccc1.
What is the InChIKey of (4-chloro-6-methylheptoxy)methylbenzene?
The InChIKey is GMIMCRFNPGNUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO/c1-13(2)11-15(16)9-6-10-17-12-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3.
What are the key properties of (4-chloro-6-methylheptoxy)methylbenzene?
(4-chloro-6-methylheptoxy)methylbenzene has a molecular weight of 254.80 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-6-methylheptoxy)methylbenzene is sourced from PubChem (CID 130537115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).