2-chloro-6-phenylmethoxynaphthalene

C17H13ClO — CID 125116795

IUPAC2-chloro-6-phenylmethoxynaphthalene
SMILESClc1ccc2cc(OCc3ccccc3)ccc2c1
InChIInChI=1S/C17H13ClO/c18-16-8-6-15-11-17(9-7-14(15)10-16)19-12-13-4-2-1-3-5-13/h1-11H,12H2
InChIKeyZUHPHTRCVUYWGI-UHFFFAOYSA-N
MW268.74 g/mol
LogP5.07
Rot. Bonds3

About 2-chloro-6-phenylmethoxynaphthalene

2-chloro-6-phenylmethoxynaphthalene (PubChem CID 125116795) has the molecular formula C17H13ClO and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-chloro-6-phenylmethoxynaphthalene.

Molecular Properties

Compound Name2-chloro-6-phenylmethoxynaphthalene
PubChem CID125116795
Molecular FormulaC17H13ClO
Molecular Weight268.74 g/mol
Exact Mass268.07
IUPAC Name2-chloro-6-phenylmethoxynaphthalene
SMILESClc1ccc2cc(OCc3ccccc3)ccc2c1
InChIInChI=1S/C17H13ClO/c18-16-8-6-15-11-17(9-7-14(15)10-16)19-12-13-4-2-1-3-5-13/h1-11H,12H2
InChIKeyZUHPHTRCVUYWGI-UHFFFAOYSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.74
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-6-phenylmethoxynaphthalene
CID 640595
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
2-methyl-7-phenylmethoxynaphthalene
CID 90146760
1-fluoro-2-iodo-4-phenylmethoxybenzene
CID 18330888
2-tert-butyl-7-phenylmethoxynaphthalene
CID 146249475
1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene
CID 54171722
1,3-bis[[3,5-bis[(3,5-dichlorophenoxy)methyl]phenoxy]methyl]-5-phenylmethoxybenzene
CID 132525104
7-phenylmethoxynaphthalene-2-carboxylic acid
CID 22243430
6-methylnaphthalen-2-ol;2-methyl-6-phenylmethoxynaphthalene
CID 158113747
2-methyl-6-phenylmethoxyquinoline
CID 82580854
6-phenylmethoxyisoquinolin-3-amine
CID 71742578
2-(6-chloronaphthalen-2-yl)oxyethanamine
CID 84687251

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-phenylmethoxynaphthalene?
The IUPAC name of 2-chloro-6-phenylmethoxynaphthalene (CID 125116795) is 2-chloro-6-phenylmethoxynaphthalene.
What is the SMILES notation for 2-chloro-6-phenylmethoxynaphthalene?
The canonical SMILES for 2-chloro-6-phenylmethoxynaphthalene is Clc1ccc2cc(OCc3ccccc3)ccc2c1.
What is the InChIKey of 2-chloro-6-phenylmethoxynaphthalene?
The InChIKey is ZUHPHTRCVUYWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO/c18-16-8-6-15-11-17(9-7-14(15)10-16)19-12-13-4-2-1-3-5-13/h1-11H,12H2.
What are the key properties of 2-chloro-6-phenylmethoxynaphthalene?
2-chloro-6-phenylmethoxynaphthalene has a molecular weight of 268.74 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-phenylmethoxynaphthalene is sourced from PubChem (CID 125116795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).