3-[chloro(methoxy)methyl]-1-methoxynaphthalene

C13H13ClO2 — CID 67627100

IUPAC3-[chloro(methoxy)methyl]-1-methoxynaphthalene
SMILESCOc1cc(C(Cl)OC)cc2ccccc12
InChIInChI=1S/C13H13ClO2/c1-15-12-8-10(13(14)16-2)7-9-5-3-4-6-11(9)12/h3-8,13H,1-2H3
InChIKeyRWTYTAGSHPFBKC-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.73
Rot. Bonds3

About 3-[chloro(methoxy)methyl]-1-methoxynaphthalene

3-[chloro(methoxy)methyl]-1-methoxynaphthalene (PubChem CID 67627100) has the molecular formula C13H13ClO2 and a molecular weight of 236.70 g/mol. Its IUPAC name is 3-[chloro(methoxy)methyl]-1-methoxynaphthalene.

Molecular Properties

Compound Name3-[chloro(methoxy)methyl]-1-methoxynaphthalene
PubChem CID67627100
Molecular FormulaC13H13ClO2
Molecular Weight236.70 g/mol
Exact Mass236.06
IUPAC Name3-[chloro(methoxy)methyl]-1-methoxynaphthalene
SMILESCOc1cc(C(Cl)OC)cc2ccccc12
InChIInChI=1S/C13H13ClO2/c1-15-12-8-10(13(14)16-2)7-9-5-3-4-6-11(9)12/h3-8,13H,1-2H3
InChIKeyRWTYTAGSHPFBKC-UHFFFAOYSA-N
XLogP3.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxynaphthalen-2-yl)-phenylmethanol
CID 72942487
1-methoxy-3-(4-methoxynaphthalen-2-yl)oxynaphthalene
CID 21195641
3-ethenyl-1-methoxynaphthalene
CID 22386223
1-methoxy-3-(4-methylphenyl)naphthalene
CID 59399525
1-(2,3-dimethoxynaphthalen-1-yl)-4-[4-[4-[4-[4-[4-(2,3-dimethoxynaphthalen-1-yl)-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalene
CID 102019300
2,3-dimethoxynaphthalene-1-carbonitrile
CID 177120866
1-[chloro-(4-fluoro-3-methoxyphenyl)methyl]naphthalene
CID 81289253
2-[bis(3,4-dimethoxyphenyl)methyl]naphthalene
CID 56601628
6-methoxychrysene
CID 12935769
11,15-dimethoxy-2,13-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 102337988
3-methoxy-1-(3-methoxynaphthalen-1-yl)oxynaphthalene
CID 138737035
methanol;1-methoxynaphthalene;neptunium
CID 157299455

Frequently Asked Questions

What is the IUPAC name of 3-[chloro(methoxy)methyl]-1-methoxynaphthalene?
The IUPAC name of 3-[chloro(methoxy)methyl]-1-methoxynaphthalene (CID 67627100) is 3-[chloro(methoxy)methyl]-1-methoxynaphthalene.
What is the SMILES notation for 3-[chloro(methoxy)methyl]-1-methoxynaphthalene?
The canonical SMILES for 3-[chloro(methoxy)methyl]-1-methoxynaphthalene is COc1cc(C(Cl)OC)cc2ccccc12.
What is the InChIKey of 3-[chloro(methoxy)methyl]-1-methoxynaphthalene?
The InChIKey is RWTYTAGSHPFBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO2/c1-15-12-8-10(13(14)16-2)7-9-5-3-4-6-11(9)12/h3-8,13H,1-2H3.
What are the key properties of 3-[chloro(methoxy)methyl]-1-methoxynaphthalene?
3-[chloro(methoxy)methyl]-1-methoxynaphthalene has a molecular weight of 236.70 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(methoxy)methyl]-1-methoxynaphthalene is sourced from PubChem (CID 67627100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).