1-[[2-(chloromethyl)-4-methylphenoxy]methyl]naphthalene

C19H17ClO — CID 63536076

IUPAC1-[[2-(chloromethyl)-4-methylphenoxy]methyl]naphthalene
SMILESCc1ccc(OCc2cccc3ccccc23)c(CCl)c1
InChIInChI=1S/C19H17ClO/c1-14-9-10-19(17(11-14)12-20)21-13-16-7-4-6-15-5-2-3-8-18(15)16/h2-11H,12-13H2,1H3
InChIKeyKDXVHHGOOSVANF-UHFFFAOYSA-N
MW296.80 g/mol
LogP5.47
Rot. Bonds4

About 1-[[2-(chloromethyl)-4-methylphenoxy]methyl]naphthalene

1-[[2-(chloromethyl)-4-methylphenoxy]methyl]naphthalene (PubChem CID 63536076) has the molecular formula C19H17ClO and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-[[2-(chloromethyl)-4-methylphenoxy]methyl]naphthalene.

Molecular Properties

Compound Name1-[[2-(chloromethyl)-4-methylphenoxy]methyl]naphthalene
PubChem CID63536076
Molecular FormulaC19H17ClO
Molecular Weight296.80 g/mol
Exact Mass296.10
IUPAC Name1-[[2-(chloromethyl)-4-methylphenoxy]methyl]naphthalene
SMILESCc1ccc(OCc2cccc3ccccc23)c(CCl)c1
InChIInChI=1S/C19H17ClO/c1-14-9-10-19(17(11-14)12-20)21-13-16-7-4-6-15-5-2-3-8-18(15)16/h2-11H,12-13H2,1H3
InChIKeyKDXVHHGOOSVANF-UHFFFAOYSA-N
XLogP5.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.80
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-[[2-(chloromethyl)-4-methylphenoxy]methyl]quinoline
CID 63325423
2-[[2-(chloromethyl)phenoxy]methyl]-1-methoxy-4-methylbenzene
CID 62161146
1-[(2,5-dimethylphenoxy)methyl]naphthalene
CID 78906369
1-[[2-(chloromethyl)-4-methylphenoxy]methyl]-2,3-difluorobenzene
CID 55224386
1-[(2-chloro-4-methylphenyl)methoxy]naphthalene
CID 106870276
4-[[2-(chloromethyl)phenoxy]methyl]-2-methylquinoline
CID 79231433
2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
CID 107698706
1-chloro-3-(chloromethyl)-2-[(2-methoxy-5-methylphenyl)methoxy]benzene
CID 115956557
N-[[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,4-dimethylaniline
CID 126125999
2-[(2-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene
CID 64766047
2-(chloromethyl)-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 63535402
2-(chloromethyl)-1-(methoxymethoxy)-4-methylbenzene
CID 65364631

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(chloromethyl)-4-methylphenoxy]methyl]naphthalene?
The IUPAC name of 1-[[2-(chloromethyl)-4-methylphenoxy]methyl]naphthalene (CID 63536076) is 1-[[2-(chloromethyl)-4-methylphenoxy]methyl]naphthalene.
What is the SMILES notation for 1-[[2-(chloromethyl)-4-methylphenoxy]methyl]naphthalene?
The canonical SMILES for 1-[[2-(chloromethyl)-4-methylphenoxy]methyl]naphthalene is Cc1ccc(OCc2cccc3ccccc23)c(CCl)c1.
What is the InChIKey of 1-[[2-(chloromethyl)-4-methylphenoxy]methyl]naphthalene?
The InChIKey is KDXVHHGOOSVANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClO/c1-14-9-10-19(17(11-14)12-20)21-13-16-7-4-6-15-5-2-3-8-18(15)16/h2-11H,12-13H2,1H3.
What are the key properties of 1-[[2-(chloromethyl)-4-methylphenoxy]methyl]naphthalene?
1-[[2-(chloromethyl)-4-methylphenoxy]methyl]naphthalene has a molecular weight of 296.80 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(chloromethyl)-4-methylphenoxy]methyl]naphthalene is sourced from PubChem (CID 63536076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).